1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C21H27N3O2S — CID 167947499

IUPAC1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)C3(NC(C)=O)CCCCC3)n2)cc1
InChIInChI=1S/C21H27N3O2S/c1-3-7-16-8-10-17(11-9-16)18-14-27-20(22-18)23-19(26)21(24-15(2)25)12-5-4-6-13-21/h8-11,14H,3-7,12-13H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyBGNDAYSBACWOIL-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.54
Rot. Bonds6

About 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 167947499) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID167947499
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)C3(NC(C)=O)CCCCC3)n2)cc1
InChIInChI=1S/C21H27N3O2S/c1-3-7-16-8-10-17(11-9-16)18-14-27-20(22-18)23-19(26)21(24-15(2)25)12-5-4-6-13-21/h8-11,14H,3-7,12-13H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyBGNDAYSBACWOIL-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
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N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5106839
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120917994
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
1-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119266416
[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
CID 87993044
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8917741
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 167947499) is 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is CCCc1ccc(-c2csc(NC(=O)C3(NC(C)=O)CCCCC3)n2)cc1.
What is the InChIKey of 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is BGNDAYSBACWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-7-16-8-10-17(11-9-16)18-14-27-20(22-18)23-19(26)21(24-15(2)25)12-5-4-6-13-21/h8-11,14H,3-7,12-13H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).