tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate

C22H25ClN4O4S2 — CID 126634264

IUPACtert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate
SMILESCC1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C22H25ClN4O4S2/c1-13-19(25-20(28)31-21(2,3)4)26-22(5,12-33(13,29)30)18-14(23)10-16(32-18)15-11-27-9-7-6-8-17(27)24-15/h6-11,13H,12H2,1-5H3,(H,25,26,28)/t13?,22-/m0/s1
InChIKeyJICDPERHXUWVTL-OGDGHAERSA-N
MW509.05 g/mol
LogP4.67
Rot. Bonds2

About tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate

tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate (PubChem CID 126634264) has the molecular formula C22H25ClN4O4S2 and a molecular weight of 509.05 g/mol. Its IUPAC name is tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate
PubChem CID126634264
Molecular FormulaC22H25ClN4O4S2
Molecular Weight509.05 g/mol
Exact Mass508.10
IUPAC Nametert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate
SMILESCC1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C22H25ClN4O4S2/c1-13-19(25-20(28)31-21(2,3)4)26-22(5,12-33(13,29)30)18-14(23)10-16(32-18)15-11-27-9-7-6-8-17(27)24-15/h6-11,13H,12H2,1-5H3,(H,25,26,28)/t13?,22-/m0/s1
InChIKeyJICDPERHXUWVTL-OGDGHAERSA-N
XLogP4.67
TPSA102.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.05
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-5-[(3S)-3,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]thiophene-2-carboxylate
CID 126633636
tert-butyl N-[(5S)-5-[5-(benzamidocarbamoyl)-3-chlorothiophen-2-yl]-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate
CID 126634066
tert-butyl N-[5-[3-chloro-5-(3,4-dimethyl-1-phenyl-4H-pyridazin-5-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamate
CID 123805347
tert-butyl N-[(3S)-3-(3-chloro-5-methylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate
CID 90137855
tert-butyl N-[(5S)-5-(5-acetyl-3-chlorothiophen-2-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamate
CID 118406526
tert-butyl N-[(5S)-5-(3-chloro-5-formylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamate
CID 118406531
tert-butyl N-[(7S)-7-(3-chloro-5-ethynylthiophen-2-yl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate
CID 90287182
tert-butyl N-[(5S)-5-(3-chloro-5-isocyanothiophen-2-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamate
CID 123962560
tert-butyl N-[(7S)-7-[3-chloro-5-[2-(1-phenylcyclopentyl)ethynyl]thiophen-2-yl]-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate;ethane
CID 144538961
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
2,5-dichloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-3-carboxamide
CID 41451826
tert-butyl N-[(7S)-7-[3-chloro-5-(2-iodosulfanylethynyl)thiophen-2-yl]-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate
CID 144538938

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate (CID 126634264) is tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate is CC1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O.
What is the InChIKey of tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate?
The InChIKey is JICDPERHXUWVTL-OGDGHAERSA-N. The full InChI is InChI=1S/C22H25ClN4O4S2/c1-13-19(25-20(28)31-21(2,3)4)26-22(5,12-33(13,29)30)18-14(23)10-16(32-18)15-11-27-9-7-6-8-17(27)24-15/h6-11,13H,12H2,1-5H3,(H,25,26,28)/t13?,22-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate?
tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate has a molecular weight of 509.05 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-5-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate is sourced from PubChem (CID 126634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).