N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C18H17ClN4O2S — CID 11668229

IUPACN-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(N(CCO)c3ccc(Cl)cc3)nc2s1)C1CC1
InChIInChI=1S/C18H17ClN4O2S/c19-12-3-5-13(6-4-12)23(9-10-24)15-8-7-14-17(21-15)26-18(20-14)22-16(25)11-1-2-11/h3-8,11,24H,1-2,9-10H2,(H,20,22,25)
InChIKeyVKFNAVPJOIRKGF-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.82
Rot. Bonds6

About N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 11668229) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID11668229
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(N(CCO)c3ccc(Cl)cc3)nc2s1)C1CC1
InChIInChI=1S/C18H17ClN4O2S/c19-12-3-5-13(6-4-12)23(9-10-24)15-8-7-14-17(21-15)26-18(20-14)22-16(25)11-1-2-11/h3-8,11,24H,1-2,9-10H2,(H,20,22,25)
InChIKeyVKFNAVPJOIRKGF-UHFFFAOYSA-N
XLogP3.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chloro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-[2-(methanesulfonamido)ethyl]aziridine-2-carboxamide
CID 142680206
N-[5-(4-chloro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]aziridine-2-carboxamide
CID 142680242
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646062
1-[5-(4-chloro-2-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(cyclohexylmethyl)urea
CID 142681980
N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646044
1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[3-[2-hydroxyethyl(methyl)amino]propyl]urea
CID 142682136
N-[5-[N-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46209419
N-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentanecarboxamide
CID 56592947
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide
CID 11625503
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 11668229) is N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2ccc(N(CCO)c3ccc(Cl)cc3)nc2s1)C1CC1.
What is the InChIKey of N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VKFNAVPJOIRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-12-3-5-13(6-4-12)23(9-10-24)15-8-7-14-17(21-15)26-18(20-14)22-16(25)11-1-2-11/h3-8,11,24H,1-2,9-10H2,(H,20,22,25).
What are the key properties of N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11668229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).