1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea

C19H21N3S — CID 3524968

IUPAC1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H21N3S/c1-14-7-6-8-16(11-14)20-19(23)22(3)13-15-12-21(2)18-10-5-4-9-17(15)18/h4-12H,13H2,1-3H3,(H,20,23)
InChIKeyFAZQXBWAGRFSFP-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.32
Rot. Bonds3

About 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea

1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea (PubChem CID 3524968) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea
PubChem CID3524968
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H21N3S/c1-14-7-6-8-16(11-14)20-19(23)22(3)13-15-12-21(2)18-10-5-4-9-17(15)18/h4-12H,13H2,1-3H3,(H,20,23)
InChIKeyFAZQXBWAGRFSFP-UHFFFAOYSA-N
XLogP4.32
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea (CID 3524968) is 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1.
What is the InChIKey of 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea?
The InChIKey is FAZQXBWAGRFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-7-6-8-16(11-14)20-19(23)22(3)13-15-12-21(2)18-10-5-4-9-17(15)18/h4-12H,13H2,1-3H3,(H,20,23).
What are the key properties of 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea?
1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea has a molecular weight of 323.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylindol-3-yl)methyl]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 3524968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).