cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide

C32H33N11O2S2 — CID 87398175

IUPACcyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide
SMILESCc1sc(Nc2ccccn2)nc1-c1cnn(C(=O)C2CCCCC2)c1.Cc1sc(Nc2ccccn2)nc1-c1cnn(C(N)=O)c1
InChIInChI=1S/C19H21N5OS.C13H12N6OS/c1-13-17(23-19(26-13)22-16-9-5-6-10-20-16)15-11-21-24(12-15)18(25)14-7-3-2-4-8-14;1-8-11(9-6-16-19(7-9)12(14)20)18-13(21-8)17-10-4-2-3-5-15-10/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,22,23);2-7H,1H3,(H2,14,20)(H,15,17,18)
InChIKeyRZHSOTSHDRAROF-UHFFFAOYSA-N
MW667.83 g/mol
LogP7.05
Rot. Bonds7

About cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide

cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide (PubChem CID 87398175) has the molecular formula C32H33N11O2S2 and a molecular weight of 667.83 g/mol. Its IUPAC name is cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide.

Molecular Properties

Compound Namecyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide
PubChem CID87398175
Molecular FormulaC32H33N11O2S2
Molecular Weight667.83 g/mol
Exact Mass667.23
IUPAC Namecyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide
SMILESCc1sc(Nc2ccccn2)nc1-c1cnn(C(=O)C2CCCCC2)c1.Cc1sc(Nc2ccccn2)nc1-c1cnn(C(N)=O)c1
InChIInChI=1S/C19H21N5OS.C13H12N6OS/c1-13-17(23-19(26-13)22-16-9-5-6-10-20-16)15-11-21-24(12-15)18(25)14-7-3-2-4-8-14;1-8-11(9-6-16-19(7-9)12(14)20)18-13(21-8)17-10-4-2-3-5-15-10/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,22,23);2-7H,1H3,(H2,14,20)(H,15,17,18)
InChIKeyRZHSOTSHDRAROF-UHFFFAOYSA-N
XLogP7.05
TPSA171.42 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide?
The IUPAC name of cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide (CID 87398175) is cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide.
What is the SMILES notation for cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide?
The canonical SMILES for cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide is Cc1sc(Nc2ccccn2)nc1-c1cnn(C(=O)C2CCCCC2)c1.Cc1sc(Nc2ccccn2)nc1-c1cnn(C(N)=O)c1.
What is the InChIKey of cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide?
The InChIKey is RZHSOTSHDRAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.C13H12N6OS/c1-13-17(23-19(26-13)22-16-9-5-6-10-20-16)15-11-21-24(12-15)18(25)14-7-3-2-4-8-14;1-8-11(9-6-16-19(7-9)12(14)20)18-13(21-8)17-10-4-2-3-5-15-10/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,22,23);2-7H,1H3,(H2,14,20)(H,15,17,18).
What are the key properties of cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide?
cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide has a molecular weight of 667.83 g/mol, XLogP of 7.05, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazol-1-yl]methanone;4-[5-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 87398175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).