2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid

C14H18N4O2S — CID 166333160

IUPAC2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(Nc2ncc(C(=O)O)s2)nn1C1CCCCC1
InChIInChI=1S/C14H18N4O2S/c1-9-7-12(16-14-15-8-11(21-14)13(19)20)17-18(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCMSRITLRTCAFCX-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.60
Rot. Bonds4

About 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 166333160) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID166333160
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(Nc2ncc(C(=O)O)s2)nn1C1CCCCC1
InChIInChI=1S/C14H18N4O2S/c1-9-7-12(16-14-15-8-11(21-14)13(19)20)17-18(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCMSRITLRTCAFCX-UHFFFAOYSA-N
XLogP3.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 166333160) is 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1cc(Nc2ncc(C(=O)O)s2)nn1C1CCCCC1.
What is the InChIKey of 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CMSRITLRTCAFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-7-12(16-14-15-8-11(21-14)13(19)20)17-18(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-5-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 166333160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).