1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C16H19N3O2S — CID 111509352

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1nc(CNC(=O)NC2c3ccccc3CC2O)sc1C
InChIInChI=1S/C16H19N3O2S/c1-9-10(2)22-14(18-9)8-17-16(21)19-15-12-6-4-3-5-11(12)7-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H2,17,19,21)
InChIKeyCEIOMNLSRPLLCN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.22
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111509352) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111509352
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1nc(CNC(=O)NC2c3ccccc3CC2O)sc1C
InChIInChI=1S/C16H19N3O2S/c1-9-10(2)22-14(18-9)8-17-16(21)19-15-12-6-4-3-5-11(12)7-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H2,17,19,21)
InChIKeyCEIOMNLSRPLLCN-UHFFFAOYSA-N
XLogP2.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
CID 111751216
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 111509352) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is Cc1nc(CNC(=O)NC2c3ccccc3CC2O)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is CEIOMNLSRPLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-10(2)22-14(18-9)8-17-16(21)19-15-12-6-4-3-5-11(12)7-13(15)20/h3-6,13,15,20H,7-8H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 317.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111509352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).