1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea

C16H19N3S — CID 3008818

IUPAC1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
SMILESCc1cccc(NC(=S)NC[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C16H19N3S/c1-12(14-8-4-3-5-9-14)11-17-16(20)19-15-10-6-7-13(2)18-15/h3-10,12H,11H2,1-2H3,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyKKRPHRYULRPPID-GFCCVEGCSA-N
MW285.42 g/mol
LogP3.48
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea

1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea (PubChem CID 3008818) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
PubChem CID3008818
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
SMILESCc1cccc(NC(=S)NC[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C16H19N3S/c1-12(14-8-4-3-5-9-14)11-17-16(20)19-15-10-6-7-13(2)18-15/h3-10,12H,11H2,1-2H3,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyKKRPHRYULRPPID-GFCCVEGCSA-N
XLogP3.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.48
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

1-(2-benzylbutyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 133154601
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-(6-methyl-2-pyridinyl)-3-(4-phenylbutan-2-yl)thiourea
CID 133215865
1-[(3-methylphenyl)-phenylmethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133216326
N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1224409
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
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
1-[(1R)-1-(4-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100645539
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100744494
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100714585

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea (CID 3008818) is 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea is Cc1cccc(NC(=S)NC[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea?
The InChIKey is KKRPHRYULRPPID-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12(14-8-4-3-5-9-14)11-17-16(20)19-15-10-6-7-13(2)18-15/h3-10,12H,11H2,1-2H3,(H2,17,18,19,20)/t12-/m1/s1.
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea?
1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea has a molecular weight of 285.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea is sourced from PubChem (CID 3008818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).