tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate

C23H26FN5O4S — CID 177214054

IUPACtert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCc1ncccc1-c1csc(NC(=O)c2ccc(F)cn2)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(31)29(4)10-11-32-13-18-16(6-5-9-25-18)19-14-34-21(27-19)28-20(30)17-8-7-15(24)12-26-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,27,28,30)
InChIKeyNVJATUXDMKRQOX-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.38
Rot. Bonds8

About tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate (PubChem CID 177214054) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate
PubChem CID177214054
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Nametert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCc1ncccc1-c1csc(NC(=O)c2ccc(F)cn2)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(31)29(4)10-11-32-13-18-16(6-5-9-25-18)19-14-34-21(27-19)28-20(30)17-8-7-15(24)12-26-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,27,28,30)
InChIKeyNVJATUXDMKRQOX-UHFFFAOYSA-N
XLogP4.38
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 177214020
5-(4-acetylpiperazin-1-yl)-N-[4-[2-(2-methylsulfonylethoxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 177213938
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
tert-butyl 4-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 162386948
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
CID 162386970
tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate
CID 176858484
tert-butyl 6-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 162386980
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
(E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxyprop-2-enoic acid
CID 23119138
tert-butyl N-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(5-fluoro-2-pyridinyl)sulfonyl]pyrrol-3-yl]methyl]-N-methylcarbamate
CID 67176681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate (CID 177214054) is tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate is CN(CCOCc1ncccc1-c1csc(NC(=O)c2ccc(F)cn2)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate?
The InChIKey is NVJATUXDMKRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(31)29(4)10-11-32-13-18-16(6-5-9-25-18)19-14-34-21(27-19)28-20(30)17-8-7-15(24)12-26-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,27,28,30).
What are the key properties of tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate has a molecular weight of 487.56 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 177214054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).