3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide

C20H25ClN4O2S — CID 27454132

IUPAC3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-15-7-4-8-16(11-15)23-19(27)25-20-24-17(13-28-20)9-10-18(26)22-12-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,22,26)(H2,23,24,25,27)
InChIKeyOLQCGWRVODPIPX-UHFFFAOYSA-N
MW420.97 g/mol
LogP5.07
Rot. Bonds7

About 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide (PubChem CID 27454132) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
PubChem CID27454132
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-15-7-4-8-16(11-15)23-19(27)25-20-24-17(13-28-20)9-10-18(26)22-12-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,22,26)(H2,23,24,25,27)
InChIKeyOLQCGWRVODPIPX-UHFFFAOYSA-N
XLogP5.07
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.97
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454039
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454084
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide (CID 27454132) is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide is O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCCC1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is OLQCGWRVODPIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c21-15-7-4-8-16(11-15)23-19(27)25-20-24-17(13-28-20)9-10-18(26)22-12-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide?
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 420.97 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 27454132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).