(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide

C11H15N3O2S — CID 32864950

IUPAC(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N[C@@H](C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16)/t6-/m0/s1
InChIKeyJZPGGNMRDSMCHD-LURJTMIESA-N
MW253.33 g/mol
LogP1.48
Rot. Bonds4

About (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide

(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide (PubChem CID 32864950) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
PubChem CID32864950
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N[C@@H](C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16)/t6-/m0/s1
InChIKeyJZPGGNMRDSMCHD-LURJTMIESA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide
CID 46593861
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
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
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
CID 54959133
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 62637206
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide (CID 32864950) is (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide is CC(=O)N[C@@H](C)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JZPGGNMRDSMCHD-LURJTMIESA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 32864950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).