N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide

C33H41N3O2S — CID 142430409

IUPACN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C
InChIInChI=1S/C33H41N3O2S/c1-22-18-27(14-15-29(22)38-2)24-10-8-23(9-11-24)21-36(33(37)26-6-4-3-5-7-26)31-19-28(16-17-34-31)30-20-35-32(39-30)25-12-13-25/h14-20,23-26H,3-13,21H2,1-2H3
InChIKeyDUUAZJVMFXDLTP-UHFFFAOYSA-N
MW543.78 g/mol
LogP8.29
Rot. Bonds8

About N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide

N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 142430409) has the molecular formula C33H41N3O2S and a molecular weight of 543.78 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID142430409
Molecular FormulaC33H41N3O2S
Molecular Weight543.78 g/mol
Exact Mass543.29
IUPAC NameN-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C
InChIInChI=1S/C33H41N3O2S/c1-22-18-27(14-15-29(22)38-2)24-10-8-23(9-11-24)21-36(33(37)26-6-4-3-5-7-26)31-19-28(16-17-34-31)30-20-35-32(39-30)25-12-13-25/h14-20,23-26H,3-13,21H2,1-2H3
InChIKeyDUUAZJVMFXDLTP-UHFFFAOYSA-N
XLogP8.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.78
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 142431205
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
CID 142431005
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
[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-cyano-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142431040
[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-methylcarbamate
CID 135330226
cyclohexyl 4-[[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]-3-hydroxy-2,2-dimethylazetidine-1-carboxylate
CID 146457709
[2-[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]-2-hydroxyethyl] carbamate
CID 164710963
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-1-(2-hydroxypropanoylamino)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-1λ3-iodinane-4-carboxamide
CID 142431219
4-(2-aminoacetyl)imino-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142431169
4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 135330456
[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate
CID 162781240

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 142430409) is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)cc1C.
What is the InChIKey of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is DUUAZJVMFXDLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O2S/c1-22-18-27(14-15-29(22)38-2)24-10-8-23(9-11-24)21-36(33(37)26-6-4-3-5-7-26)31-19-28(16-17-34-31)30-20-35-32(39-30)25-12-13-25/h14-20,23-26H,3-13,21H2,1-2H3.
What are the key properties of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 543.78 g/mol, XLogP of 8.29, 8 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]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 142430409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).