N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

C13H21Cl2N5OS — CID 119626848

IUPACN-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NCC(C)(C)N.Cl.Cl
InChIInChI=1S/C13H19N5OS.2ClH/c1-8-10(11(19)15-7-13(2,3)14)20-12(17-8)9-5-16-18(4)6-9;;/h5-6H,7,14H2,1-4H3,(H,15,19);2*1H
InChIKeyFSWWZWHHILBULU-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.16
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119626848) has the molecular formula C13H21Cl2N5OS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119626848
Molecular FormulaC13H21Cl2N5OS
Molecular Weight366.32 g/mol
Exact Mass365.08
IUPAC NameN-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NCC(C)(C)N.Cl.Cl
InChIInChI=1S/C13H19N5OS.2ClH/c1-8-10(11(19)15-7-13(2,3)14)20-12(17-8)9-5-16-18(4)6-9;;/h5-6H,7,14H2,1-4H3,(H,15,19);2*1H
InChIKeyFSWWZWHHILBULU-UHFFFAOYSA-N
XLogP2.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 119500921
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119653466
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75451531
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119665731
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
N-[2-(ethylaminomethyl)phenyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119439221
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119626848) is N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC(C)(C)N.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is FSWWZWHHILBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS.2ClH/c1-8-10(11(19)15-7-13(2,3)14)20-12(17-8)9-5-16-18(4)6-9;;/h5-6H,7,14H2,1-4H3,(H,15,19);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 366.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119626848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).