3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea

C19H25N5OS — CID 45214032

IUPAC3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C19H25N5OS/c1-23-11-15-7-4-3-6-14(15)10-16(23)12-24(2)19(25)20-18-22-21-17(26-18)13-8-5-9-13/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,20,22,25)
InChIKeyNYSJFXYQGZIAMP-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.33
Rot. Bonds4

About 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea

3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea (PubChem CID 45214032) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea
PubChem CID45214032
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C19H25N5OS/c1-23-11-15-7-4-3-6-14(15)10-16(23)12-24(2)19(25)20-18-22-21-17(26-18)13-8-5-9-13/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,20,22,25)
InChIKeyNYSJFXYQGZIAMP-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea with MolForge

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Related Compounds

3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 166292831
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55696045
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide
CID 166281099
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea
CID 51080161
3-ethoxy-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 70756048
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 95047368
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
CID 135234164
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398947
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
CID 119070698
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea?
The IUPAC name of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea (CID 45214032) is 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea is CN(CC1Cc2ccccc2CN1C)C(=O)Nc1nnc(C2CCC2)s1.
What is the InChIKey of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea?
The InChIKey is NYSJFXYQGZIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-23-11-15-7-4-3-6-14(15)10-16(23)12-24(2)19(25)20-18-22-21-17(26-18)13-8-5-9-13/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,20,22,25).
What are the key properties of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea?
3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea has a molecular weight of 371.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea is sourced from PubChem (CID 45214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).