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

C15H25Cl2N5OS — CID 119665731

IUPACN-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1sc(-c2cnn(C)c2)nc1C.Cl.Cl
InChIInChI=1S/C15H23N5OS.2ClH/c1-4-5-6-12(7-16)19-14(21)13-10(2)18-15(22-13)11-8-17-20(3)9-11;;/h8-9,12H,4-7,16H2,1-3H3,(H,19,21);2*1H
InChIKeyHCPYQRDPZYEOBH-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.94
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119665731) has the molecular formula C15H25Cl2N5OS and a molecular weight of 394.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119665731
Molecular FormulaC15H25Cl2N5OS
Molecular Weight394.37 g/mol
Exact Mass393.12
IUPAC NameN-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1sc(-c2cnn(C)c2)nc1C.Cl.Cl
InChIInChI=1S/C15H23N5OS.2ClH/c1-4-5-6-12(7-16)19-14(21)13-10(2)18-15(22-13)11-8-17-20(3)9-11;;/h8-9,12H,4-7,16H2,1-3H3,(H,19,21);2*1H
InChIKeyHCPYQRDPZYEOBH-UHFFFAOYSA-N
XLogP2.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 119665253
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CID 119626848
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-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-[2-(ethylaminomethyl)phenyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119439221
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
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

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119665731) is N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1sc(-c2cnn(C)c2)nc1C.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is HCPYQRDPZYEOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS.2ClH/c1-4-5-6-12(7-16)19-14(21)13-10(2)18-15(22-13)11-8-17-20(3)9-11;;/h8-9,12H,4-7,16H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 394.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119665731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).