2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide

C6H9N3O2S — CID 66389377

IUPAC2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NO)cs1
InChIInChI=1S/C6H9N3O2S/c1-3(7)6-8-4(2-12-6)5(10)9-11/h2-3,11H,7H2,1H3,(H,9,10)
InChIKeyYFPWYTXXQMTNAO-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.28
Rot. Bonds2

About 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide (PubChem CID 66389377) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
PubChem CID66389377
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NO)cs1
InChIInChI=1S/C6H9N3O2S/c1-3(7)6-8-4(2-12-6)5(10)9-11/h2-3,11H,7H2,1H3,(H,9,10)
InChIKeyYFPWYTXXQMTNAO-UHFFFAOYSA-N
XLogP0.28
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 66374781
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-(1-aminoethyl)-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3855660
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide (CID 66389377) is 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NO)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The InChIKey is YFPWYTXXQMTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3(7)6-8-4(2-12-6)5(10)9-11/h2-3,11H,7H2,1H3,(H,9,10).
What are the key properties of 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide has a molecular weight of 187.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).