3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C17H21N3O3S — CID 119679930

IUPAC3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCC(N)C3)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-12-5-6-15(23-2)13(8-12)14-9-24-17(19-14)20-16(21)10-3-4-11(18)7-10/h5-6,8-11H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyBUKDCWQTBPCWMT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.89
Rot. Bonds5

About 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119679930) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119679930
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCC(N)C3)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-12-5-6-15(23-2)13(8-12)14-9-24-17(19-14)20-16(21)10-3-4-11(18)7-10/h5-6,8-11H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyBUKDCWQTBPCWMT-UHFFFAOYSA-N
XLogP2.89
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119679929
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119690539
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044812
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751506
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 119679930) is 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)C3CCC(N)C3)n2)c1.
What is the InChIKey of 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is BUKDCWQTBPCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-12-5-6-15(23-2)13(8-12)14-9-24-17(19-14)20-16(21)10-3-4-11(18)7-10/h5-6,8-11H,3-4,7,18H2,1-2H3,(H,19,20,21).
What are the key properties of 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119679930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).