2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 53365629

IUPAC2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc(NC3CCCCC3)nc2C)cc1
InChIInChI=1S/C20H27N3O2S/c1-13(15-9-11-17(25-3)12-10-15)21-19(24)18-14(2)22-20(26-18)23-16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOTHULVKNJJCBKZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.70
Rot. Bonds6

About 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53365629) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53365629
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc(NC3CCCCC3)nc2C)cc1
InChIInChI=1S/C20H27N3O2S/c1-13(15-9-11-17(25-3)12-10-15)21-19(24)18-14(2)22-20(26-18)23-16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyOTHULVKNJJCBKZ-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394562
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365616
2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 45494389
4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663853
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53365629) is 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(C(C)NC(=O)c2sc(NC3CCCCC3)nc2C)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OTHULVKNJJCBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(15-9-11-17(25-3)12-10-15)21-19(24)18-14(2)22-20(26-18)23-16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).