(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C15H15FN2OS2 — CID 40790129

IUPAC(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2OS2/c1-9-8-20-15(17-9)21-13(14(19)18-12-6-7-12)10-2-4-11(16)5-3-10/h2-5,8,12-13H,6-7H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJAJIGGBOSLXCIQ-ZDUSSCGKSA-N
MW322.43 g/mol
LogP3.70
Rot. Bonds5

About (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 40790129) has the molecular formula C15H15FN2OS2 and a molecular weight of 322.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID40790129
Molecular FormulaC15H15FN2OS2
Molecular Weight322.43 g/mol
Exact Mass322.06
IUPAC Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2OS2/c1-9-8-20-15(17-9)21-13(14(19)18-12-6-7-12)10-2-4-11(16)5-3-10/h2-5,8,12-13H,6-7H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJAJIGGBOSLXCIQ-ZDUSSCGKSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41398608
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16601947
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550
N-cyclopropyl-2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide
CID 16589423
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 17443709
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclopropyl-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 17444085
N-cyclopropyl-2-(4-fluorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16594247
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 40790129) is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JAJIGGBOSLXCIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN2OS2/c1-9-8-20-15(17-9)21-13(14(19)18-12-6-7-12)10-2-4-11(16)5-3-10/h2-5,8,12-13H,6-7H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 40790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).