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

C8H13N3O2S — CID 106381161

IUPAC3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-5(2-9)7(12)10-3-6-4-14-8(13)11-6/h4-5H,2-3,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyJETPSWUCHTXMSK-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.35
Rot. Bonds4

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

3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 106381161) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID106381161
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-5(2-9)7(12)10-3-6-4-14-8(13)11-6/h4-5H,2-3,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyJETPSWUCHTXMSK-UHFFFAOYSA-N
XLogP-0.35
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.35
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-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
N-(2-methylpropyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123972562
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
CID 170413285
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
N-[(2R)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 25401106
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylpropanamide
CID 29198709
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 31715862
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylpropanamide
CID 33511432

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 106381161) is 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is CC(CN)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is JETPSWUCHTXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2-9)7(12)10-3-6-4-14-8(13)11-6/h4-5H,2-3,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 215.28 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 106381161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).