1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea

C16H18N2S2 — CID 92534650

IUPAC1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
SMILESCNC(=S)N[C@H](c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C16H18N2S2/c1-17-16(19)18-15(14-6-3-9-20-14)13-8-7-11-4-2-5-12(11)10-13/h3,6-10,15H,2,4-5H2,1H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyUDYWMOXCKZFNOW-OAHLLOKOSA-N
MW302.47 g/mol
LogP3.42
Rot. Bonds3

About 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea

1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea (PubChem CID 92534650) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
PubChem CID92534650
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
SMILESCNC(=S)N[C@H](c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C16H18N2S2/c1-17-16(19)18-15(14-6-3-9-20-14)13-8-7-11-4-2-5-12(11)10-13/h3,6-10,15H,2,4-5H2,1H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyUDYWMOXCKZFNOW-OAHLLOKOSA-N
XLogP3.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
CID 42924851
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 41135189
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51927775
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 42923118
6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide
CID 95146289

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea?
The IUPAC name of 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea (CID 92534650) is 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea.
What is the SMILES notation for 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea?
The canonical SMILES for 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea is CNC(=S)N[C@H](c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea?
The InChIKey is UDYWMOXCKZFNOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-17-16(19)18-15(14-6-3-9-20-14)13-8-7-11-4-2-5-12(11)10-13/h3,6-10,15H,2,4-5H2,1H3,(H2,17,18,19)/t15-/m1/s1.
What are the key properties of 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea?
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea has a molecular weight of 302.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea is sourced from PubChem (CID 92534650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).