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

C9H14N4O3S — CID 106380803

IUPACN-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N4O3S/c1-5(7(14)13-8(15)10-2)11-3-6-4-17-9(16)12-6/h4-5,11H,3H2,1-2H3,(H,12,16)(H2,10,13,14,15)
InChIKeyYYPAAFSYDPIXHM-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.63
Rot. Bonds4

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

N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106380803) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106380803
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N4O3S/c1-5(7(14)13-8(15)10-2)11-3-6-4-17-9(16)12-6/h4-5,11H,3H2,1-2H3,(H,12,16)(H2,10,13,14,15)
InChIKeyYYPAAFSYDPIXHM-UHFFFAOYSA-N
XLogP-0.63
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 114181405
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380341
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 114181747
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106380803) is N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CNC(=O)NC(=O)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is YYPAAFSYDPIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-5(7(14)13-8(15)10-2)11-3-6-4-17-9(16)12-6/h4-5,11H,3H2,1-2H3,(H,12,16)(H2,10,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 258.30 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106380803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).