N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C15H22N6OS — CID 127310921

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C15H22N6OS/c1-19-4-5-20(2)12(10-19)7-16-14(22)13-8-17-15(23-13)11-6-18-21(3)9-11/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,16,22)
InChIKeyBWLGZFRHYCMTOW-UHFFFAOYSA-N
MW334.45 g/mol
LogP0.52
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 127310921) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID127310921
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C15H22N6OS/c1-19-4-5-20(2)12(10-19)7-16-14(22)13-8-17-15(23-13)11-6-18-21(3)9-11/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,16,22)
InChIKeyBWLGZFRHYCMTOW-UHFFFAOYSA-N
XLogP0.52
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310827
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CID 111447555
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 124684814
N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 71876502
N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118111
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 97087861
2-(1-methylpyrazol-4-yl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 99122315
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 99122319
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127310888

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 127310921) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CN1CCN(C)C(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BWLGZFRHYCMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-19-4-5-20(2)12(10-19)7-16-14(22)13-8-17-15(23-13)11-6-18-21(3)9-11/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,16,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 127310921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).