1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C19H19N3S — CID 3003542

IUPAC1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)nc1
InChIInChI=1S/C19H19N3S/c1-13-10-11-18(20-12-13)22-19(23)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-12,14H,1-2H3,(H2,20,21,22,23)/t14-/m1/s1
InChIKeyXBHDXMUXHKSSHE-CQSZACIVSA-N
MW321.45 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 3003542) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID3003542
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)nc1
InChIInChI=1S/C19H19N3S/c1-13-10-11-18(20-12-13)22-19(23)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-12,14H,1-2H3,(H2,20,21,22,23)/t14-/m1/s1
InChIKeyXBHDXMUXHKSSHE-CQSZACIVSA-N
XLogP4.59
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
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-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 3003542) is 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is Cc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is XBHDXMUXHKSSHE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3S/c1-13-10-11-18(20-12-13)22-19(23)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-12,14H,1-2H3,(H2,20,21,22,23)/t14-/m1/s1.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 321.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 3003542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).