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

C18H25N5OS — CID 22510828

IUPAC1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)c(C)c1
InChIInChI=1S/C18H25N5OS/c1-12-9-10-15(13(2)11-12)19-16(24)20-17-21-22-18(25-17)23(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,24)
InChIKeyXJLJLEGFYCUJIF-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.57
Rot. Bonds4

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

1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea (PubChem CID 22510828) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea
PubChem CID22510828
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)c(C)c1
InChIInChI=1S/C18H25N5OS/c1-12-9-10-15(13(2)11-12)19-16(24)20-17-21-22-18(25-17)23(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,24)
InChIKeyXJLJLEGFYCUJIF-UHFFFAOYSA-N
XLogP4.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)urea
CID 46271131
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-cyclohexyl-3-[(2,4-dimethylphenyl)carbamoyl]-1-methylsulfonylurea
CID 23800118
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazole-5-carboxamide
CID 87230263
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,5-dimethylphenyl)urea
CID 22509940
1-(2-chloro-4-methylphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3457777
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea (CID 22510828) is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)c(C)c1.
What is the InChIKey of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is XJLJLEGFYCUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12-9-10-15(13(2)11-12)19-16(24)20-17-21-22-18(25-17)23(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,24).
What are the key properties of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea?
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 359.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 22510828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).