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

C10H15N5O2S — CID 103381005

IUPAC5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
SMILESCC(=O)N1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C10H15N5O2S/c1-6(16)14-2-4-15(5-3-14)10-7(9(12)17)8(11)13-18-10/h2-5H2,1H3,(H2,11,13)(H2,12,17)
InChIKeyDKQDPCOWXKQDPV-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.51
Rot. Bonds2

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

5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide (PubChem CID 103381005) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
PubChem CID103381005
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
SMILESCC(=O)N1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C10H15N5O2S/c1-6(16)14-2-4-15(5-3-14)10-7(9(12)17)8(11)13-18-10/h2-5H2,1H3,(H2,11,13)(H2,12,17)
InChIKeyDKQDPCOWXKQDPV-UHFFFAOYSA-N
XLogP-0.51
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.51
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-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide (CID 103381005) is 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide is CC(=O)N1CCN(c2snc(N)c2C(N)=O)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide?
The InChIKey is DKQDPCOWXKQDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-6(16)14-2-4-15(5-3-14)10-7(9(12)17)8(11)13-18-10/h2-5H2,1H3,(H2,11,13)(H2,12,17).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide?
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.51, 2 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-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).