2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride

C12H13BrClN3OS2 — CID 119452998

IUPAC2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3OS2.ClH/c13-10-2-1-9(19-10)12-16-8(6-18-12)11(17)15-7-3-4-14-5-7;/h1-2,6-7,14H,3-5H2,(H,15,17);1H
InChIKeyQRKQGERETAHZST-UHFFFAOYSA-N
MW394.75 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride

2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119452998) has the molecular formula C12H13BrClN3OS2 and a molecular weight of 394.75 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119452998
Molecular FormulaC12H13BrClN3OS2
Molecular Weight394.75 g/mol
Exact Mass392.94
IUPAC Name2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3OS2.ClH/c13-10-2-1-9(19-10)12-16-8(6-18-12)11(17)15-7-3-4-14-5-7;/h1-2,6-7,14H,3-5H2,(H,15,17);1H
InChIKeyQRKQGERETAHZST-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119477818
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119477819
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
[(3R)-3-aminopyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412335

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119452998) is 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1csc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is QRKQGERETAHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS2.ClH/c13-10-2-1-9(19-10)12-16-8(6-18-12)11(17)15-7-3-4-14-5-7;/h1-2,6-7,14H,3-5H2,(H,15,17);1H.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 394.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119452998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).