(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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Related Compounds

4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
CID 110695914
1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 140750583
3-methyl-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196740
tert-butyl formate;piperidin-1-yl(1,3-thiazol-2-yl)methanone
CID 174721923
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196684
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 67289625
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
CID 69459233
CID 69459233
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384590

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).