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

C17H19N3O2S — CID 56782412

IUPACN-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)NC(C(=O)Nc1nc(C2CC2)cs1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-2-14(21)19-15(12-6-4-3-5-7-12)16(22)20-17-18-13(10-23-17)11-8-9-11/h3-7,10-11,15H,2,8-9H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyLKWWXKRKXDCZMG-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide (PubChem CID 56782412) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
PubChem CID56782412
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)NC(C(=O)Nc1nc(C2CC2)cs1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-2-14(21)19-15(12-6-4-3-5-7-12)16(22)20-17-18-13(10-23-17)11-8-9-11/h3-7,10-11,15H,2,8-9H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyLKWWXKRKXDCZMG-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94806028
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94806027
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
CID 54959133
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide (CID 56782412) is N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide is CCC(=O)NC(C(=O)Nc1nc(C2CC2)cs1)c1ccccc1.
What is the InChIKey of N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide?
The InChIKey is LKWWXKRKXDCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-14(21)19-15(12-6-4-3-5-7-12)16(22)20-17-18-13(10-23-17)11-8-9-11/h3-7,10-11,15H,2,8-9H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide?
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide has a molecular weight of 329.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 56782412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).