(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone

C9H15N3OS — CID 146957017

IUPAC(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
SMILESCN1C=CSC1C(=O)N1CCNCC1
InChIInChI=1S/C9H15N3OS/c1-11-6-7-14-9(11)8(13)12-4-2-10-3-5-12/h6-7,9-10H,2-5H2,1H3
InChIKeyAJVKTZGNHSMOAE-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.11
Rot. Bonds1

About (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone

(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone (PubChem CID 146957017) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
PubChem CID146957017
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
SMILESCN1C=CSC1C(=O)N1CCNCC1
InChIInChI=1S/C9H15N3OS/c1-11-6-7-14-9(11)8(13)12-4-2-10-3-5-12/h6-7,9-10H,2-5H2,1H3
InChIKeyAJVKTZGNHSMOAE-UHFFFAOYSA-N
XLogP-0.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
CID 56994914
1-[(1S)-1-methylsulfanylethyl]piperazin-2-one
CID 67599573
1-(1-Methylsulfanylethyl)piperazin-2-one
CID 67599575
[4-(Azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone
CID 70212554
2-[(4-Methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 141134768
2-piperazin-1-yl-3H-1,3-thiazole-2-carboxamide
CID 142626699
[4-(azetidin-3-yl)piperazin-1-yl]-(3-methyl-2H-1,3-thiazol-2-yl)methanone
CID 149531122
2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
CID 173431596
3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide
CID 174250450
4-(Propan-2-yl)-2-[(propan-2-yl)amino]-2H-1,4-thiazin-3(4H)-one
CID 13117708
4-Methyl-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,3-thiazol-2-one
CID 31096525
4-Methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 43287107

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone (CID 146957017) is (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone is CN1C=CSC1C(=O)N1CCNCC1.
What is the InChIKey of (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone?
The InChIKey is AJVKTZGNHSMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-11-6-7-14-9(11)8(13)12-4-2-10-3-5-12/h6-7,9-10H,2-5H2,1H3.
What are the key properties of (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone?
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone has a molecular weight of 213.31 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 146957017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).