2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

C18H15N5OS2 — CID 155560332

IUPAC2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1
InChIInChI=1S/C18H15N5OS2/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyPBVOGRHBUOCSGR-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.74
Rot. Bonds5

About 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155560332) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155560332
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1
InChIInChI=1S/C18H15N5OS2/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyPBVOGRHBUOCSGR-UHFFFAOYSA-N
XLogP4.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1h-Indazol-1-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 59332218
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine
CID 25167075
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332249
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 156760473
2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 44525325
2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 44525326
2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44539960
2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
CID 24769359
2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
CID 24769362
2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
CID 24769599

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (CID 155560332) is 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is CSc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1.
What is the InChIKey of 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PBVOGRHBUOCSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-ylamino)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155560332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).