5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide

C13H19N5O2S — CID 103381010

IUPAC5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESCC(=O)N1CCN(c2snc(N)c2C(=O)NC2CC2)CC1
InChIInChI=1S/C13H19N5O2S/c1-8(19)17-4-6-18(7-5-17)13-10(11(14)16-21-13)12(20)15-9-2-3-9/h9H,2-7H2,1H3,(H2,14,16)(H,15,20)
InChIKeyWKDOKQPLDVZLGE-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.29
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide

5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103381010) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103381010
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESCC(=O)N1CCN(c2snc(N)c2C(=O)NC2CC2)CC1
InChIInChI=1S/C13H19N5O2S/c1-8(19)17-4-6-18(7-5-17)13-10(11(14)16-21-13)12(20)15-9-2-3-9/h9H,2-7H2,1H3,(H2,14,16)(H,15,20)
InChIKeyWKDOKQPLDVZLGE-UHFFFAOYSA-N
XLogP0.29
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103381010) is 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide is CC(=O)N1CCN(c2snc(N)c2C(=O)NC2CC2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is WKDOKQPLDVZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8(19)17-4-6-18(7-5-17)13-10(11(14)16-21-13)12(20)15-9-2-3-9/h9H,2-7H2,1H3,(H2,14,16)(H,15,20).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide?
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).