(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone

C24H27N3O3S — CID 42945715

IUPAC(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)n3ccc(C)c/c3=N\C3CCCCC3)cs2)c1OC
InChIInChI=1S/C24H27N3O3S/c1-16-12-13-27(21(14-16)25-17-8-5-4-6-9-17)24(28)19-15-31-23(26-19)18-10-7-11-20(29-2)22(18)30-3/h7,10-15,17H,4-6,8-9H2,1-3H3/b25-21+
InChIKeyFISNTHAZKNDCPS-NJNXFGOHSA-N
MW437.57 g/mol
LogP4.86
Rot. Bonds5

About (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone

(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 42945715) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID42945715
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)n3ccc(C)c/c3=N\C3CCCCC3)cs2)c1OC
InChIInChI=1S/C24H27N3O3S/c1-16-12-13-27(21(14-16)25-17-8-5-4-6-9-17)24(28)19-15-31-23(26-19)18-10-7-11-20(29-2)22(18)30-3/h7,10-15,17H,4-6,8-9H2,1-3H3/b25-21+
InChIKeyFISNTHAZKNDCPS-NJNXFGOHSA-N
XLogP4.86
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-cyclohexylimino-4-methyl-1-pyridinyl)-(2-methoxyphenyl)methanone
CID 46517992
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
(4-chloro-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 68684537
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
CID 51078085
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537724
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 42945715) is (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1cccc(-c2nc(C(=O)n3ccc(C)c/c3=N\C3CCCCC3)cs2)c1OC.
What is the InChIKey of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is FISNTHAZKNDCPS-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-12-13-27(21(14-16)25-17-8-5-4-6-9-17)24(28)19-15-31-23(26-19)18-10-7-11-20(29-2)22(18)30-3/h7,10-15,17H,4-6,8-9H2,1-3H3/b25-21+.
What are the key properties of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
(2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 437.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 42945715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).