(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide

C14H18N2OS2 — CID 52876063

IUPAC(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
SMILESCC(C)[C@H](Sc1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C14H18N2OS2/c1-10(2)12(19-11-6-4-3-5-7-11)13(17)16-14-15-8-9-18-14/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeySCZNKTKMTMPXHZ-LBPRGKRZSA-N
MW294.44 g/mol
LogP3.02
Rot. Bonds4

About (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide

(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide (PubChem CID 52876063) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
PubChem CID52876063
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
SMILESCC(C)[C@H](Sc1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C14H18N2OS2/c1-10(2)12(19-11-6-4-3-5-7-11)13(17)16-14-15-8-9-18-14/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeySCZNKTKMTMPXHZ-LBPRGKRZSA-N
XLogP3.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47265585
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 3246749
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47265591
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
2-[(3-methyl-2-phenylsulfanylbutanoyl)amino]acetic acid
CID 82042816
4-(difluoromethylsulfanyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 51326128
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 745467
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
(2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2095523
1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622504

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide?
The IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide (CID 52876063) is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide?
The canonical SMILES for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide is CC(C)[C@H](Sc1ccccc1)C(=O)NC1=NCCS1.
What is the InChIKey of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide?
The InChIKey is SCZNKTKMTMPXHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-10(2)12(19-11-6-4-3-5-7-11)13(17)16-14-15-8-9-18-14/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide?
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide has a molecular weight of 294.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide is sourced from PubChem (CID 52876063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).