4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide

C15H22N6OS — CID 71910353

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ccnn3C)CC2)sc1C
InChIInChI=1S/C15H22N6OS/c1-11-12(2)23-15(18-11)21-8-6-20(7-9-21)14(22)16-10-13-4-5-17-19(13)3/h4-5H,6-10H2,1-3H3,(H,16,22)
InChIKeyHJQIUCDAFKRLHZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.53
Rot. Bonds3

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 71910353) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID71910353
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ccnn3C)CC2)sc1C
InChIInChI=1S/C15H22N6OS/c1-11-12(2)23-15(18-11)21-8-6-20(7-9-21)14(22)16-10-13-4-5-17-19(13)3/h4-5H,6-10H2,1-3H3,(H,16,22)
InChIKeyHJQIUCDAFKRLHZ-UHFFFAOYSA-N
XLogP1.53
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
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4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 97241639
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71844308
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CID 136538806
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110710972
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide (CID 71910353) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide is Cc1nc(N2CCN(C(=O)NCc3ccnn3C)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is HJQIUCDAFKRLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11-12(2)23-15(18-11)21-8-6-20(7-9-21)14(22)16-10-13-4-5-17-19(13)3/h4-5H,6-10H2,1-3H3,(H,16,22).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 71910353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).