N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide

C15H15N3O2S2 — CID 87001779

IUPACN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCc1nc(NC(=O)C(C)Oc2ccccc2)sc1SCC#N
InChIInChI=1S/C15H15N3O2S2/c1-10-14(21-9-8-16)22-15(17-10)18-13(19)11(2)20-12-6-4-3-5-7-12/h3-7,11H,9H2,1-2H3,(H,17,18,19)
InChIKeyKMYIZLFQZRTCCE-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.47
Rot. Bonds6

About N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide

N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (PubChem CID 87001779) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
PubChem CID87001779
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCc1nc(NC(=O)C(C)Oc2ccccc2)sc1SCC#N
InChIInChI=1S/C15H15N3O2S2/c1-10-14(21-9-8-16)22-15(17-10)18-13(19)11(2)20-12-6-4-3-5-7-12/h3-7,11H,9H2,1-2H3,(H,17,18,19)
InChIKeyKMYIZLFQZRTCCE-UHFFFAOYSA-N
XLogP3.47
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 55851834
(E)-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 55784983
2,2-dichloro-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78887150
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 86940569
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 55583774
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxypropanamide
CID 3302085

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (CID 87001779) is N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is Cc1nc(NC(=O)C(C)Oc2ccccc2)sc1SCC#N.
What is the InChIKey of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is KMYIZLFQZRTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10-14(21-9-8-16)22-15(17-10)18-13(19)11(2)20-12-6-4-3-5-7-12/h3-7,11H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 333.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 87001779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).