N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide

C20H19N5O2S2 — CID 166218683

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CSCN2C(=O)c2ccc(Nc3ccncc3)cc2)s1
InChIInChI=1S/C20H19N5O2S2/c1-13-10-22-20(29-13)24-18(26)17-11-28-12-25(17)19(27)14-2-4-15(5-3-14)23-16-6-8-21-9-7-16/h2-10,17H,11-12H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyUQYGNZZMRZVVFM-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.74
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 166218683) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID166218683
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CSCN2C(=O)c2ccc(Nc3ccncc3)cc2)s1
InChIInChI=1S/C20H19N5O2S2/c1-13-10-22-20(29-13)24-18(26)17-11-28-12-25(17)19(27)14-2-4-15(5-3-14)23-16-6-8-21-9-7-16/h2-10,17H,11-12H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyUQYGNZZMRZVVFM-UHFFFAOYSA-N
XLogP3.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95152267
(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
CID 95621129
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95296252
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 95383054
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide (CID 166218683) is N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide is Cc1cnc(NC(=O)C2CSCN2C(=O)c2ccc(Nc3ccncc3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UQYGNZZMRZVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-13-10-22-20(29-13)24-18(26)17-11-28-12-25(17)19(27)14-2-4-15(5-3-14)23-16-6-8-21-9-7-16/h2-10,17H,11-12H2,1H3,(H,21,23)(H,22,24,26).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 166218683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).