(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone

C9H13N3OS — CID 110695913

IUPAC(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C9H13N3OS/c1-11-3-5-12(6-4-11)9(13)8-10-2-7-14-8/h2,7H,3-6H2,1H3
InChIKeyHRVKCIKPZUZXCV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.53
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone

(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone (PubChem CID 110695913) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
PubChem CID110695913
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C9H13N3OS/c1-11-3-5-12(6-4-11)9(13)8-10-2-7-14-8/h2,7H,3-6H2,1H3
InChIKeyHRVKCIKPZUZXCV-UHFFFAOYSA-N
XLogP0.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone (CID 110695913) is (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone is CN1CCN(C(=O)c2nccs2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is HRVKCIKPZUZXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-11-3-5-12(6-4-11)9(13)8-10-2-7-14-8/h2,7H,3-6H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 110695913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).