4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C12H15N5OS2 — CID 47193079

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)Nc3nccs3)CC2)n1
InChIInChI=1S/C12H15N5OS2/c1-9-8-20-12(14-9)17-5-3-16(4-6-17)11(18)15-10-13-2-7-19-10/h2,7-8H,3-6H2,1H3,(H,13,15,18)
InChIKeyJQPXVGOWHMAKJT-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 47193079) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID47193079
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)Nc3nccs3)CC2)n1
InChIInChI=1S/C12H15N5OS2/c1-9-8-20-12(14-9)17-5-3-16(4-6-17)11(18)15-10-13-2-7-19-10/h2,7-8H,3-6H2,1H3,(H,13,15,18)
InChIKeyJQPXVGOWHMAKJT-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 47193079) is 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1csc(N2CCN(C(=O)Nc3nccs3)CC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JQPXVGOWHMAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-9-8-20-12(14-9)17-5-3-16(4-6-17)11(18)15-10-13-2-7-19-10/h2,7-8H,3-6H2,1H3,(H,13,15,18).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).