N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride

C15H17Cl2N3O2S — CID 86780136

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3CCNC3)n2)cc1Cl.Cl
InChIInChI=1S/C15H16ClN3O2S.ClH/c1-21-13-3-2-9(6-11(13)16)12-8-22-15(18-12)19-14(20)10-4-5-17-7-10;/h2-3,6,8,10,17H,4-5,7H2,1H3,(H,18,19,20);1H
InChIKeyXSEFUQARQHDFGK-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.44
Rot. Bonds4

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 86780136) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID86780136
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2csc(NC(=O)C3CCNC3)n2)cc1Cl.Cl
InChIInChI=1S/C15H16ClN3O2S.ClH/c1-21-13-3-2-9(6-11(13)16)12-8-22-15(18-12)19-14(20)10-4-5-17-7-10;/h2-3,6,8,10,17H,4-5,7H2,1H3,(H,18,19,20);1H
InChIKeyXSEFUQARQHDFGK-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
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CID 119677698
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 8750909
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
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4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 86780136) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(-c2csc(NC(=O)C3CCNC3)n2)cc1Cl.Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XSEFUQARQHDFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S.ClH/c1-21-13-3-2-9(6-11(13)16)12-8-22-15(18-12)19-14(20)10-4-5-17-7-10;/h2-3,6,8,10,17H,4-5,7H2,1H3,(H,18,19,20);1H.
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 374.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 86780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).