tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate

C16H21N3O2S — CID 168896471

IUPACtert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H21N3O2S/c1-10(19-15(20)21-16(3,4)5)13-7-6-12(8-17-13)14-11(2)18-9-22-14/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyYVJIDJPZNCYTOR-JTQLQIEISA-N
MW319.43 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate

tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate (PubChem CID 168896471) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
PubChem CID168896471
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H21N3O2S/c1-10(19-15(20)21-16(3,4)5)13-7-6-12(8-17-13)14-11(2)18-9-22-14/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyYVJIDJPZNCYTOR-JTQLQIEISA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]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

tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 157458713
(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine
CID 168896537
tert-butyl N-[2-[cyclobutyl(methyl)amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]carbamate
CID 139530923
tert-butyl N-[(1R)-2-(3,3-dimethylbutoxy)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate
CID 176629165
tert-butyl N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-6-oxohexyl]carbamate
CID 171104855
[(3R)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl] methanesulfonate
CID 176629212
tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
CID 175356304
[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174167362
tert-butyl N-[1-[2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123579625
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetic acid
CID 153368015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate (CID 168896471) is tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate is Cc1ncsc1-c1ccc([C@H](C)NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate?
The InChIKey is YVJIDJPZNCYTOR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(19-15(20)21-16(3,4)5)13-7-6-12(8-17-13)14-11(2)18-9-22-14/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate has a molecular weight of 319.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 168896471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).