2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C15H16N4OS3 — CID 4668562

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1
InChIInChI=1S/C15H16N4OS3/c1-9-5-3-4-6-11(9)13-18-19-14(23-13)17-12(20)10(2)22-15-16-7-8-21-15/h3-6,10H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyCITJEIPMBLDYJJ-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.68
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 4668562) has the molecular formula C15H16N4OS3 and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID4668562
Molecular FormulaC15H16N4OS3
Molecular Weight364.52 g/mol
Exact Mass364.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1
InChIInChI=1S/C15H16N4OS3/c1-9-5-3-4-6-11(9)13-18-19-14(23-13)17-12(20)10(2)22-15-16-7-8-21-15/h3-6,10H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyCITJEIPMBLDYJJ-UHFFFAOYSA-N
XLogP3.68
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121120
methyl 2-[(2S)-1-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7163764
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23801598
(2R)-2-bromo-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 7090631
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23772584
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
CID 23830370
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1451463
(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 7121115
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 17403739
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454380
methyl 2-[(2R)-1-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
CID 7163812

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 4668562) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is CITJEIPMBLDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS3/c1-9-5-3-4-6-11(9)13-18-19-14(23-13)17-12(20)10(2)22-15-16-7-8-21-15/h3-6,10H,7-8H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 364.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 4668562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).