1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea

C20H19N3S — CID 100664632

IUPAC1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea
SMILESCc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C20H19N3S/c1-15-12-13-18(21-14-15)22-20(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,1H3,(H2,21,22,23,24)
InChIKeyVJDZMOIFHDESTC-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.47
Rot. Bonds4

About 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea

1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea (PubChem CID 100664632) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea
PubChem CID100664632
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea
SMILESCc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C20H19N3S/c1-15-12-13-18(21-14-15)22-20(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,1H3,(H2,21,22,23,24)
InChIKeyVJDZMOIFHDESTC-UHFFFAOYSA-N
XLogP4.47
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.47
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-benzhydryl-5-methylpyridin-2-amine
CID 43344292
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
1-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-(5-methyl-2-pyridinyl)thiourea
CID 100707477
1-[(3-methylphenyl)-phenylmethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133216326
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
1-benzhydryl-3-(4-methylpyrimidin-2-yl)thiourea
CID 100559570
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(6-methoxy-3-pyridinyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216330
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100747851
1-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100747846

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea (CID 100664632) is 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea is Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea?
The InChIKey is VJDZMOIFHDESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-15-12-13-18(21-14-15)22-20(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,1H3,(H2,21,22,23,24).
What are the key properties of 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea?
1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea has a molecular weight of 333.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100664632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).