(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide

C19H19N3O2S2 — CID 7121115

IUPAC(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-12-8-10-14(11-9-12)25-13(2)17(23)20-19-22-21-18(26-19)15-6-4-5-7-16(15)24-3/h4-11,13H,1-3H3,(H,20,22,23)/t13-/m1/s1
InChIKeyHTHABGJPNDYGHB-CYBMUJFWSA-N
MW385.51 g/mol
LogP4.64
Rot. Bonds6

About (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 7121115) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID7121115
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-12-8-10-14(11-9-12)25-13(2)17(23)20-19-22-21-18(26-19)15-6-4-5-7-16(15)24-3/h4-11,13H,1-3H3,(H,20,22,23)/t13-/m1/s1
InChIKeyHTHABGJPNDYGHB-CYBMUJFWSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7163778
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
(2S)-2-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121110
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
(2S)-2-(4-methylphenyl)sulfanyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100636584
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
(2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9397243
(2S)-2-(4-methylphenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121144
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16815364
methyl 2-[(2S)-1-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7163764
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide (CID 7121115) is (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide is COc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1.
What is the InChIKey of (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HTHABGJPNDYGHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12-8-10-14(11-9-12)25-13(2)17(23)20-19-22-21-18(26-19)15-6-4-5-7-16(15)24-3/h4-11,13H,1-3H3,(H,20,22,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 385.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7121115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).