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

C15H17N3OS — CID 94017963

IUPAC1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3OS/c1-10-9-20-14(17-10)8-16-15(19)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,9,13H,6-8H2,1H3,(H2,16,18,19)/t13-/m0/s1
InChIKeyYBEKHTIWJJZQSF-ZDUSSCGKSA-N
MW287.39 g/mol
LogP2.94
Rot. Bonds3

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

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 94017963) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID94017963
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3OS/c1-10-9-20-14(17-10)8-16-15(19)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,9,13H,6-8H2,1H3,(H2,16,18,19)/t13-/m0/s1
InChIKeyYBEKHTIWJJZQSF-ZDUSSCGKSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47163887
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47048720

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 94017963) is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)N[C@H]2CCc3ccccc32)n1.
What is the InChIKey of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is YBEKHTIWJJZQSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-9-20-14(17-10)8-16-15(19)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,9,13H,6-8H2,1H3,(H2,16,18,19)/t13-/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 287.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 94017963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).