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

C14H21N7OS — CID 154751107

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ncnn3C)CC2)sc1C
InChIInChI=1S/C14H21N7OS/c1-10-11(2)23-14(18-10)21-6-4-20(5-7-21)13(22)15-8-12-16-9-17-19(12)3/h9H,4-8H2,1-3H3,(H,15,22)
InChIKeySZVYPTXXQFCSMX-UHFFFAOYSA-N
MW335.44 g/mol
LogP0.92
Rot. Bonds3

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 154751107) has the molecular formula C14H21N7OS and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID154751107
Molecular FormulaC14H21N7OS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ncnn3C)CC2)sc1C
InChIInChI=1S/C14H21N7OS/c1-10-11(2)23-14(18-10)21-6-4-20(5-7-21)13(22)15-8-12-16-9-17-19(12)3/h9H,4-8H2,1-3H3,(H,15,22)
InChIKeySZVYPTXXQFCSMX-UHFFFAOYSA-N
XLogP0.92
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (CID 154751107) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is Cc1nc(N2CCN(C(=O)NCc3ncnn3C)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is SZVYPTXXQFCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS/c1-10-11(2)23-14(18-10)21-6-4-20(5-7-21)13(22)15-8-12-16-9-17-19(12)3/h9H,4-8H2,1-3H3,(H,15,22).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 154751107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).