[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C12H16N4O2S — CID 62787370

IUPAC[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)cs1
InChIInChI=1S/C12H16N4O2S/c13-12-14-9(7-19-12)11(18)16-5-3-15(4-6-16)10(17)8-1-2-8/h7-8H,1-6H2,(H2,13,14)
InChIKeyWQDOHTMIPKAAQO-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.42
Rot. Bonds2

About [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 62787370) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID62787370
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)cs1
InChIInChI=1S/C12H16N4O2S/c13-12-14-9(7-19-12)11(18)16-5-3-15(4-6-16)10(17)8-1-2-8/h7-8H,1-6H2,(H2,13,14)
InChIKeyWQDOHTMIPKAAQO-UHFFFAOYSA-N
XLogP0.42
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 62787370) is [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone is Nc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is WQDOHTMIPKAAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-12-14-9(7-19-12)11(18)16-5-3-15(4-6-16)10(17)8-1-2-8/h7-8H,1-6H2,(H2,13,14).
What are the key properties of [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 280.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 62787370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).