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

C14H19BrClN3OS2 — CID 119655809

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1csc(-c2ccc(Br)s2)n1.Cl
InChIInChI=1S/C14H18BrN3OS2.ClH/c1-14(2,7-16)8-18(3)13(19)9-6-20-12(17-9)10-4-5-11(15)21-10;/h4-6H,7-8,16H2,1-3H3;1H
InChIKeyOOHKMLMEQKGXME-UHFFFAOYSA-N
MW424.82 g/mol
LogP4.11
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119655809) has the molecular formula C14H19BrClN3OS2 and a molecular weight of 424.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119655809
Molecular FormulaC14H19BrClN3OS2
Molecular Weight424.82 g/mol
Exact Mass422.98
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1csc(-c2ccc(Br)s2)n1.Cl
InChIInChI=1S/C14H18BrN3OS2.ClH/c1-14(2,7-16)8-18(3)13(19)9-6-20-12(17-9)10-4-5-11(15)21-10;/h4-6H,7-8,16H2,1-3H3;1H
InChIKeyOOHKMLMEQKGXME-UHFFFAOYSA-N
XLogP4.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119655809) is N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1csc(-c2ccc(Br)s2)n1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OOHKMLMEQKGXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3OS2.ClH/c1-14(2,7-16)8-18(3)13(19)9-6-20-12(17-9)10-4-5-11(15)21-10;/h4-6H,7-8,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 424.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119655809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).