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

C12H18N2O2S — CID 32893210

IUPACN-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-7-17-12(16)14(8)6-5-11(15)13-9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyZLHSWLRPLOSJEU-VIFPVBQESA-N
MW254.35 g/mol
LogP1.52
Rot. Bonds5

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

N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 32893210) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID32893210
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-7-17-12(16)14(8)6-5-11(15)13-9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyZLHSWLRPLOSJEU-VIFPVBQESA-N
XLogP1.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 32893210) is N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N[C@@H](C)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is ZLHSWLRPLOSJEU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-7-17-12(16)14(8)6-5-11(15)13-9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 254.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 32893210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).