N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide

C19H20N4OS2 — CID 4814967

IUPACN-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1ccccc1Nc1nnc(SC(C)C(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C19H20N4OS2/c1-13-9-7-8-12-16(13)20-18-21-22-19(26-18)25-14(2)17(24)23(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,20,21)
InChIKeyGRRVRSGIXGMQEB-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.73
Rot. Bonds6

About N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide

N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 4814967) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID4814967
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1ccccc1Nc1nnc(SC(C)C(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C19H20N4OS2/c1-13-9-7-8-12-16(13)20-18-21-22-19(26-18)25-14(2)17(24)23(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,20,21)
InChIKeyGRRVRSGIXGMQEB-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide (CID 4814967) is N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide is Cc1ccccc1Nc1nnc(SC(C)C(=O)N(C)c2ccccc2)s1.
What is the InChIKey of N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is GRRVRSGIXGMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-13-9-7-8-12-16(13)20-18-21-22-19(26-18)25-14(2)17(24)23(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,20,21).
What are the key properties of N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 384.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 4814967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).