4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C11H16N6OS — CID 116665663

IUPAC4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2cnn(C(C)C)c2)s1
InChIInChI=1S/C11H16N6OS/c1-6(2)17-5-7(4-14-17)15-10(18)8-9(12)16-11(13-3)19-8/h4-6H,12H2,1-3H3,(H,13,16)(H,15,18)
InChIKeyHKBQKKFIAKIONO-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116665663) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116665663
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2cnn(C(C)C)c2)s1
InChIInChI=1S/C11H16N6OS/c1-6(2)17-5-7(4-14-17)15-10(18)8-9(12)16-11(13-3)19-8/h4-6H,12H2,1-3H3,(H,13,16)(H,15,18)
InChIKeyHKBQKKFIAKIONO-UHFFFAOYSA-N
XLogP1.80
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116670035
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 116665663) is 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2cnn(C(C)C)c2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HKBQKKFIAKIONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-6(2)17-5-7(4-14-17)15-10(18)8-9(12)16-11(13-3)19-8/h4-6H,12H2,1-3H3,(H,13,16)(H,15,18).
What are the key properties of 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 280.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).