1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea

C19H21N5OS — CID 22509855

IUPAC1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nnc(N(C)Cc3ccccc3)s2)c1C
InChIInChI=1S/C19H21N5OS/c1-13-8-7-11-16(14(13)2)20-17(25)21-18-22-23-19(26-18)24(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyATNSAYLWKVDPDN-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.44
Rot. Bonds5

About 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea

1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea (PubChem CID 22509855) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
PubChem CID22509855
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nnc(N(C)Cc3ccccc3)s2)c1C
InChIInChI=1S/C19H21N5OS/c1-13-8-7-11-16(14(13)2)20-17(25)21-18-22-23-19(26-18)24(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyATNSAYLWKVDPDN-UHFFFAOYSA-N
XLogP4.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
CID 22509945
ethyl (3S)-3-[[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenylpropanoate
CID 92678641
ethyl 2-[[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22510635
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
N,N-dibenzyl-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23903003
2-benzylsulfanyl-N-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40827780
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 22509881
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 1470613

Frequently Asked Questions

What is the IUPAC name of 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea (CID 22509855) is 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2nnc(N(C)Cc3ccccc3)s2)c1C.
What is the InChIKey of 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea?
The InChIKey is ATNSAYLWKVDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-8-7-11-16(14(13)2)20-17(25)21-18-22-23-19(26-18)24(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea?
1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 367.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 22509855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).