4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C14H19N5OS2 — CID 75388417

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3cscn3)CC2)sc1C
InChIInChI=1S/C14H19N5OS2/c1-10-11(2)22-14(17-10)19-5-3-18(4-6-19)13(20)15-7-12-8-21-9-16-12/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeyIPSBJSUHBYOFKL-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.25
Rot. Bonds3

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 75388417) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID75388417
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3cscn3)CC2)sc1C
InChIInChI=1S/C14H19N5OS2/c1-10-11(2)22-14(17-10)19-5-3-18(4-6-19)13(20)15-7-12-8-21-9-16-12/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeyIPSBJSUHBYOFKL-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 75388417) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is Cc1nc(N2CCN(C(=O)NCc3cscn3)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is IPSBJSUHBYOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-10-11(2)22-14(17-10)19-5-3-18(4-6-19)13(20)15-7-12-8-21-9-16-12/h8-9H,3-7H2,1-2H3,(H,15,20).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.25, 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-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75388417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).