N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide

C15H16N2OS2 — CID 107025680

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(S)Cc1ccccc1
InChIInChI=1S/C15H16N2OS2/c18-14(12(19)9-10-5-2-1-3-6-10)17-15-16-11-7-4-8-13(11)20-15/h1-3,5-6,12,19H,4,7-9H2,(H,16,17,18)
InChIKeyZUESOORSIWEQTI-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.11
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107025680) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107025680
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(S)Cc1ccccc1
InChIInChI=1S/C15H16N2OS2/c18-14(12(19)9-10-5-2-1-3-6-10)17-15-16-11-7-4-8-13(11)20-15/h1-3,5-6,12,19H,4,7-9H2,(H,16,17,18)
InChIKeyZUESOORSIWEQTI-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxypropanamide
CID 3302085
(2R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxy-2-phenylacetamide
CID 97311644
N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 94825571
2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119300564
2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 112760910
3-methyl-2-sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 107025752
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide (CID 107025680) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide is O=C(Nc1nc2c(s1)CCC2)C(S)Cc1ccccc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is ZUESOORSIWEQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c18-14(12(19)9-10-5-2-1-3-6-10)17-15-16-11-7-4-8-13(11)20-15/h1-3,5-6,12,19H,4,7-9H2,(H,16,17,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 304.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107025680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).