N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide

C21H27N3O2S — CID 142431183

IUPACN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide
SMILESCCOC1CCC(C(=O)N(C)c2cc(-c3cnc(C4CC4)s3)ccn2)CC1
InChIInChI=1S/C21H27N3O2S/c1-3-26-17-8-6-15(7-9-17)21(25)24(2)19-12-16(10-11-22-19)18-13-23-20(27-18)14-4-5-14/h10-15,17H,3-9H2,1-2H3
InChIKeyIJPUJRBRQJRBLE-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.64
Rot. Bonds6

About N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide

N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 142431183) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide
PubChem CID142431183
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide
SMILESCCOC1CCC(C(=O)N(C)c2cc(-c3cnc(C4CC4)s3)ccn2)CC1
InChIInChI=1S/C21H27N3O2S/c1-3-26-17-8-6-15(7-9-17)21(25)24(2)19-12-16(10-11-22-19)18-13-23-20(27-18)14-4-5-14/h10-15,17H,3-9H2,1-2H3
InChIKeyIJPUJRBRQJRBLE-UHFFFAOYSA-N
XLogP4.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
CID 146514852
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142430938
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 142430409
[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate
CID 163752186
4-(cyanomethyl)-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-methylcyclohexane-1-carboxamide;4-cyclohexyl-1-methoxy-2-methylbenzene;ethane
CID 142431180
N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline
CID 142431124
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-hydroxycyclohexane-1-carboxamide
CID 142430400
[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-methylcarbamate
CID 135330226
N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 142431205
[4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperidine-1-carboxylate
CID 170407467
[4-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] hydrogen carbonate
CID 164710968
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyclopropylphenyl]-2-pyridinyl]-methylcarbamic acid
CID 135325673

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide (CID 142431183) is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide is CCOC1CCC(C(=O)N(C)c2cc(-c3cnc(C4CC4)s3)ccn2)CC1.
What is the InChIKey of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is IJPUJRBRQJRBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-26-17-8-6-15(7-9-17)21(25)24(2)19-12-16(10-11-22-19)18-13-23-20(27-18)14-4-5-14/h10-15,17H,3-9H2,1-2H3.
What are the key properties of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide?
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 142431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).