N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

C16H20N2O2S — CID 122134648

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NC3=NCCS3)CCCC2)c1
InChIInChI=1S/C16H20N2O2S/c1-20-13-6-4-5-12(11-13)16(7-2-3-8-16)14(19)18-15-17-9-10-21-15/h4-6,11H,2-3,7-10H2,1H3,(H,17,18,19)
InChIKeyWIDBPOLFPLYNSG-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 122134648) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID122134648
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)NC3=NCCS3)CCCC2)c1
InChIInChI=1S/C16H20N2O2S/c1-20-13-6-4-5-12(11-13)16(7-2-3-8-16)14(19)18-15-17-9-10-21-15/h4-6,11H,2-3,7-10H2,1H3,(H,17,18,19)
InChIKeyWIDBPOLFPLYNSG-UHFFFAOYSA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119515549
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119627481
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3565725
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
N-(3-chloro-2-pyridinyl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 126811063
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide (CID 122134648) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is COc1cccc(C2(C(=O)NC3=NCCS3)CCCC2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WIDBPOLFPLYNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-20-13-6-4-5-12(11-13)16(7-2-3-8-16)14(19)18-15-17-9-10-21-15/h4-6,11H,2-3,7-10H2,1H3,(H,17,18,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 122134648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).