3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C12H20N2OS — CID 746422

IUPAC3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCC1CCCCC1)NC1=NCCS1
InChIInChI=1S/C12H20N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14,15)
InChIKeyBNPXHHBRHHBNSM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.57
Rot. Bonds3

About 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 746422) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID746422
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCC1CCCCC1)NC1=NCCS1
InChIInChI=1S/C12H20N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14,15)
InChIKeyBNPXHHBRHHBNSM-UHFFFAOYSA-N
XLogP2.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarboxamide, N-(4,5-dihydro-2-thiazolyl)-
CID 3055291
2-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2886398
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 800434
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-adamantanecarboxamide
CID 2831688
N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide
CID 3337578
N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide
CID 4059701
(5R)-2-(cycloheptylamino)-5-(cyclohexylmethyl)-1,3-thiazol-4(5H)-one
CID 135428229
N-(1,3-thiazolin-2-yl)tricyclo[4.3.1.1<3,8>]undecylcarboxamide
CID 16443386
1-Cyclohexanoyl-2-ethylisothiourea
CID 172432249
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 56814093
cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95571334

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 746422) is 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is O=C(CCC1CCCCC1)NC1=NCCS1.
What is the InChIKey of 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is BNPXHHBRHHBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14,15).
What are the key properties of 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 746422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).