2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid

C25H21N3O3S2 — CID 167489296

IUPAC2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Nc1nc(-c2ccc(OC3CC3)cc2)c(C2CC2)s1
InChIInChI=1S/C25H21N3O3S2/c29-24(30)19-12-16(20-2-1-11-32-20)13-26-23(19)28-25-27-21(22(33-25)15-3-4-15)14-5-7-17(8-6-14)31-18-9-10-18/h1-2,5-8,11-13,15,18H,3-4,9-10H2,(H,29,30)(H,26,27,28)
InChIKeyYEIIEGCVUDRIDQ-UHFFFAOYSA-N
MW475.60 g/mol
LogP6.79
Rot. Bonds8

About 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid

2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 167489296) has the molecular formula C25H21N3O3S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID167489296
Molecular FormulaC25H21N3O3S2
Molecular Weight475.60 g/mol
Exact Mass475.10
IUPAC Name2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Nc1nc(-c2ccc(OC3CC3)cc2)c(C2CC2)s1
InChIInChI=1S/C25H21N3O3S2/c29-24(30)19-12-16(20-2-1-11-32-20)13-26-23(19)28-25-27-21(22(33-25)15-3-4-15)14-5-7-17(8-6-14)31-18-9-10-18/h1-2,5-8,11-13,15,18H,3-4,9-10H2,(H,29,30)(H,26,27,28)
InChIKeyYEIIEGCVUDRIDQ-UHFFFAOYSA-N
XLogP6.79
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-cyclopropyl-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739569
2-[[4-(3-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489216
2-[[5-(2,2-dimethylpropyl)-4-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489210
2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 156849739
2-[[4-methyl-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 171646447
2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
CID 156849738
2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine
CID 167489379
2-[[5-(2-methylpropyl)-4-(3-propoxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739584
2-[[5-cyclopropyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 166023308
2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
CID 167489803
2-[[4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489081
2-[[4-[3-methoxy-5-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489191

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid (CID 167489296) is 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)cnc1Nc1nc(-c2ccc(OC3CC3)cc2)c(C2CC2)s1.
What is the InChIKey of 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is YEIIEGCVUDRIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S2/c29-24(30)19-12-16(20-2-1-11-32-20)13-26-23(19)28-25-27-21(22(33-25)15-3-4-15)14-5-7-17(8-6-14)31-18-9-10-18/h1-2,5-8,11-13,15,18H,3-4,9-10H2,(H,29,30)(H,26,27,28).
What are the key properties of 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 475.60 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 167489296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).