1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea

C15H16N6O2S — CID 75425287

IUPAC1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccccc2-c2noc(C)n2)cs1
InChIInChI=1S/C15H16N6O2S/c1-9-18-13(21-23-9)11-5-3-4-6-12(11)20-14(22)17-7-10-8-24-15(16-2)19-10/h3-6,8H,7H2,1-2H3,(H,16,19)(H2,17,20,22)
InChIKeyDYCFMOSKSUWAJR-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.86
Rot. Bonds5

About 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea

1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 75425287) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID75425287
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccccc2-c2noc(C)n2)cs1
InChIInChI=1S/C15H16N6O2S/c1-9-18-13(21-23-9)11-5-3-4-6-12(11)20-14(22)17-7-10-8-24-15(16-2)19-10/h3-6,8H,7H2,1-2H3,(H,16,19)(H2,17,20,22)
InChIKeyDYCFMOSKSUWAJR-UHFFFAOYSA-N
XLogP2.86
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-butyramide
CID 11573708
Cyclopropanecarboxylic acid [5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide
CID 11638430
N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11688036
N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide
CID 11958582
N-[4'-methyl-2-(2-toluidino)-4,5'-bi-1,3-thiazol-2'-yl]acetamide
CID 755371
N-[[4-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butanamide
CID 136042377
2-{5-[(2,6-Dimethyl-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3134097
n-{2-[(2-Ethylphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}acetamide
CID 1144657
Cambridge id 6504928
CID 697341
N-[[6-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 11036664
1-(2-Methylphenyl)-3-[4-(5-oxopyrrolidin-2-yl)-1,3-thiazol-2-yl]urea
CID 49790887
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70783084

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 75425287) is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CNc1nc(CNC(=O)Nc2ccccc2-c2noc(C)n2)cs1.
What is the InChIKey of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is DYCFMOSKSUWAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-18-13(21-23-9)11-5-3-4-6-12(11)20-14(22)17-7-10-8-24-15(16-2)19-10/h3-6,8H,7H2,1-2H3,(H,16,19)(H2,17,20,22).
What are the key properties of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 344.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 75425287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).