2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

C10H17N5O2S — CID 11694695

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESNCCN1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C10H17N5O2S/c11-1-2-14-3-5-15(6-4-14)10-12-7-8(18-10)9(16)13-17/h7,17H,1-6,11H2,(H,13,16)
InChIKeyBEPFYWFQTNUTIV-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.66
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11694695) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11694695
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESNCCN1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C10H17N5O2S/c11-1-2-14-3-5-15(6-4-14)10-12-7-8(18-10)9(16)13-17/h7,17H,1-6,11H2,(H,13,16)
InChIKeyBEPFYWFQTNUTIV-UHFFFAOYSA-N
XLogP-0.66
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11694695) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is NCCN1CCN(c2ncc(C(=O)NO)s2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is BEPFYWFQTNUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c11-1-2-14-3-5-15(6-4-14)10-12-7-8(18-10)9(16)13-17/h7,17H,1-6,11H2,(H,13,16).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 271.35 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11694695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).