2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide

C7H11N3O2S — CID 83633696

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-4(8)6(11)9-2-5-3-13-7(12)10-5/h3-4H,2,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyHCTKZTBMISACJC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.60
Rot. Bonds3

About 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 83633696) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID83633696
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-4(8)6(11)9-2-5-3-13-7(12)10-5/h3-4H,2,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyHCTKZTBMISACJC-UHFFFAOYSA-N
XLogP-0.60
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
2,2,3,3-tetrafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383573
2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383582
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
3-methylsulfanyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]propanamide
CID 117649954
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propan-2-yl-3H-1,3-thiazole-4-carboxamide
CID 123265507
N-ethyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123394572
2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
CID 123679448
N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123883247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 83633696) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is CC(N)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is HCTKZTBMISACJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(8)6(11)9-2-5-3-13-7(12)10-5/h3-4H,2,8H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 201.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 83633696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).