N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C12H17Cl2N3OS2 — CID 119630453

IUPACN-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1csc(-c2cccs2)n1.Cl.Cl
InChIInChI=1S/C12H15N3OS2.2ClH/c1-12(2,13)7-14-10(16)8-6-18-11(15-8)9-4-3-5-17-9;;/h3-6H,7,13H2,1-2H3,(H,14,16);2*1H
InChIKeyYQNYTFPTNOSASE-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.18
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119630453) has the molecular formula C12H17Cl2N3OS2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119630453
Molecular FormulaC12H17Cl2N3OS2
Molecular Weight354.33 g/mol
Exact Mass353.02
IUPAC NameN-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1csc(-c2cccs2)n1.Cl.Cl
InChIInChI=1S/C12H15N3OS2.2ClH/c1-12(2,13)7-14-10(16)8-6-18-11(15-8)9-4-3-5-17-9;;/h3-6H,7,13H2,1-2H3,(H,14,16);2*1H
InChIKeyYQNYTFPTNOSASE-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119630453) is N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)(N)CNC(=O)c1csc(-c2cccs2)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is YQNYTFPTNOSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2.2ClH/c1-12(2,13)7-14-10(16)8-6-18-11(15-8)9-4-3-5-17-9;;/h3-6H,7,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 354.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).