(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C14H18N4OS2 — CID 48593037

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(c3nc(C)cs3)CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-3-12-15-8-11(21-12)13(19)17-4-6-18(7-5-17)14-16-10(2)9-20-14/h8-9H,3-7H2,1-2H3
InChIKeyLYQVXABMCWWPJC-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.43
Rot. Bonds3

About (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 48593037) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID48593037
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(c3nc(C)cs3)CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-3-12-15-8-11(21-12)13(19)17-4-6-18(7-5-17)14-16-10(2)9-20-14/h8-9H,3-7H2,1-2H3
InChIKeyLYQVXABMCWWPJC-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 48593037) is (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCc1ncc(C(=O)N2CCN(c3nc(C)cs3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LYQVXABMCWWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-3-12-15-8-11(21-12)13(19)17-4-6-18(7-5-17)14-16-10(2)9-20-14/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 322.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 48593037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).