(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

C10H14N4O2S — CID 134822011

IUPAC(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1
InChIInChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1
InChIKeyAESXBAWWRWZMPF-ZETCQYMHSA-N
MW254.31 g/mol
LogP-0.15
Rot. Bonds3

About (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (PubChem CID 134822011) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
PubChem CID134822011
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1
InChIInChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1
InChIKeyAESXBAWWRWZMPF-ZETCQYMHSA-N
XLogP-0.15
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (CID 134822011) is (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is CC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1.
What is the InChIKey of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The InChIKey is AESXBAWWRWZMPF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1.
What are the key properties of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 134822011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).