cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide

C17H21N3O2S — CID 133136628

IUPACcis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@@H]3CC[C@H](N)C3)s2)c1
InChIInChI=1S/C17H21N3O2S/c1-22-14-4-2-3-12(8-14)17-20-10-15(23-17)9-19-16(21)11-5-6-13(18)7-11/h2-4,8,10-11,13H,5-7,9,18H2,1H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyQHUATTALSGCRLT-YPMHNXCESA-N
MW331.44 g/mol
LogP2.56
Rot. Bonds5

About cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 133136628) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
PubChem CID133136628
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Namecis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@@H]3CC[C@H](N)C3)s2)c1
InChIInChI=1S/C17H21N3O2S/c1-22-14-4-2-3-12(8-14)17-20-10-15(23-17)9-19-16(21)11-5-6-13(18)7-11/h2-4,8,10-11,13H,5-7,9,18H2,1H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyQHUATTALSGCRLT-YPMHNXCESA-N
XLogP2.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768557
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814773

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide (CID 133136628) is cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide is COc1cccc(-c2ncc(CNC(=O)[C@@H]3CC[C@H](N)C3)s2)c1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is QHUATTALSGCRLT-YPMHNXCESA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-14-4-2-3-12(8-14)17-20-10-15(23-17)9-19-16(21)11-5-6-13(18)7-11/h2-4,8,10-11,13H,5-7,9,18H2,1H3,(H,19,21)/t11-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133136628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).