1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C17H20N4OS — CID 75521331

IUPAC1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCc2cc3ccccc3[nH]2)s1
InChIInChI=1S/C17H20N4OS/c1-11(16-18-9-12(2)23-16)8-19-17(22)20-10-14-7-13-5-3-4-6-15(13)21-14/h3-7,9,11,21H,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyIIRFBJSAMJCADX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.54
Rot. Bonds5

About 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75521331) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75521331
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCc2cc3ccccc3[nH]2)s1
InChIInChI=1S/C17H20N4OS/c1-11(16-18-9-12(2)23-16)8-19-17(22)20-10-14-7-13-5-3-4-6-15(13)21-14/h3-7,9,11,21H,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyIIRFBJSAMJCADX-UHFFFAOYSA-N
XLogP3.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1H-indol-2-ylmethylcarbamic acid
CID 68691362
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-2-ylmethyl)urea
CID 111454969
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 167947964
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
CID 111454971
1-(1H-indol-2-ylmethyl)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146077167
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
CID 86286685
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305979
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1H-indol-2-ylmethyl)urea
CID 111505462
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75521331) is 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc(C(C)CNC(=O)NCc2cc3ccccc3[nH]2)s1.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is IIRFBJSAMJCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(16-18-9-12(2)23-16)8-19-17(22)20-10-14-7-13-5-3-4-6-15(13)21-14/h3-7,9,11,21H,8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 328.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75521331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).