(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

C14H17N3OS2 — CID 47379804

IUPAC(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C14H17N3OS2/c1-11-2-7-20-13(11)14(18)17-5-3-16(4-6-17)8-12-9-19-10-15-12/h2,7,9-10H,3-6,8H2,1H3
InChIKeyKPJNIBCBBGQUKH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.47
Rot. Bonds3

About (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 47379804) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID47379804
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C14H17N3OS2/c1-11-2-7-20-13(11)14(18)17-5-3-16(4-6-17)8-12-9-19-10-15-12/h2,7,9-10H,3-6,8H2,1H3
InChIKeyKPJNIBCBBGQUKH-UHFFFAOYSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 47379804) is (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is Cc1ccsc1C(=O)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KPJNIBCBBGQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-11-2-7-20-13(11)14(18)17-5-3-16(4-6-17)8-12-9-19-10-15-12/h2,7,9-10H,3-6,8H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
(3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47379804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).