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

C15H21Cl2N3O2S — CID 119998203

IUPACN-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)CN)cs2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-10(7-16)8-17-14(19)13-9-21-15(18-13)11-3-5-12(20-2)6-4-11;;/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyCOFCXZIDEHJCJF-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.99
Rot. Bonds6

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

N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119998203) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119998203
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)CN)cs2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-10(7-16)8-17-14(19)13-9-21-15(18-13)11-3-5-12(20-2)6-4-11;;/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyCOFCXZIDEHJCJF-UHFFFAOYSA-N
XLogP2.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119998315
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CID 120650279
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
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2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
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CID 117088936
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119998203) is N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is COc1ccc(-c2nc(C(=O)NCC(C)CN)cs2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is COFCXZIDEHJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.2ClH/c1-10(7-16)8-17-14(19)13-9-21-15(18-13)11-3-5-12(20-2)6-4-11;;/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119998203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).