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

C9H15N3O2S — CID 66375369

IUPAC2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CO)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C9H15N3O2S/c1-5(3-13)11-8(14)7-4-15-9(12-7)6(2)10/h4-6,13H,3,10H2,1-2H3,(H,11,14)
InChIKeyJYGLQBGFHZZFEZ-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.27
Rot. Bonds4

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

2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66375369) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID66375369
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CO)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C9H15N3O2S/c1-5(3-13)11-8(14)7-4-15-9(12-7)6(2)10/h4-6,13H,3,10H2,1-2H3,(H,11,14)
InChIKeyJYGLQBGFHZZFEZ-UHFFFAOYSA-N
XLogP0.27
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 103109128
2-(1-aminoethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66389833

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide (CID 66375369) is 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide is CC(CO)NC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JYGLQBGFHZZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(3-13)11-8(14)7-4-15-9(12-7)6(2)10/h4-6,13H,3,10H2,1-2H3,(H,11,14).
What are the key properties of 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 229.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).