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

C14H17BrClN3OS2 — CID 119477818

IUPACN-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2csc(-c3ccc(Br)s3)n2)CC1
InChIInChI=1S/C14H16BrN3OS2.ClH/c15-12-6-5-11(21-12)14-18-10(7-20-14)13(19)17-9-3-1-8(16)2-4-9;/h5-9H,1-4,16H2,(H,17,19);1H
InChIKeyGLFGPAPQUIHICT-UHFFFAOYSA-N
MW422.80 g/mol
LogP4.06
Rot. Bonds3

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

N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119477818) has the molecular formula C14H17BrClN3OS2 and a molecular weight of 422.80 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119477818
Molecular FormulaC14H17BrClN3OS2
Molecular Weight422.80 g/mol
Exact Mass420.97
IUPAC NameN-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2csc(-c3ccc(Br)s3)n2)CC1
InChIInChI=1S/C14H16BrN3OS2.ClH/c15-12-6-5-11(21-12)14-18-10(7-20-14)13(19)17-9-3-1-8(16)2-4-9;/h5-9H,1-4,16H2,(H,17,19);1H
InChIKeyGLFGPAPQUIHICT-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119477818) is N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2csc(-c3ccc(Br)s3)n2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GLFGPAPQUIHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS2.ClH/c15-12-6-5-11(21-12)14-18-10(7-20-14)13(19)17-9-3-1-8(16)2-4-9;/h5-9H,1-4,16H2,(H,17,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 422.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119477818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).