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

C15H25Cl2N5OS — CID 119653466

IUPACN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C15H23N5OS.2ClH/c1-10-12(14(21)19(4)9-15(2,3)8-16)22-13(18-10)11-6-17-20(5)7-11;;/h6-7H,8-9,16H2,1-5H3;2*1H
InChIKeyUPXSBXOFCRCHTB-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.75
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119653466) has the molecular formula C15H25Cl2N5OS and a molecular weight of 394.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119653466
Molecular FormulaC15H25Cl2N5OS
Molecular Weight394.37 g/mol
Exact Mass393.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C15H23N5OS.2ClH/c1-10-12(14(21)19(4)9-15(2,3)8-16)22-13(18-10)11-6-17-20(5)7-11;;/h6-7H,8-9,16H2,1-5H3;2*1H
InChIKeyUPXSBXOFCRCHTB-UHFFFAOYSA-N
XLogP2.75
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626848
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 119500921
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089134
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119665731
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75451531
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119653466) is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(-c2cnn(C)c2)sc1C(=O)N(C)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is UPXSBXOFCRCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS.2ClH/c1-10-12(14(21)19(4)9-15(2,3)8-16)22-13(18-10)11-6-17-20(5)7-11;;/h6-7H,8-9,16H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 394.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119653466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).