1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea

C15H15N3S — CID 54359421

IUPAC1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H15N3S/c19-15(18-14-8-4-5-9-16-14)17-13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2,(H2,16,17,18,19)/t12-,13-/m1/s1
InChIKeyULLIWPYXSUORQD-CHWSQXEVSA-N
MW269.37 g/mol
LogP2.92
Rot. Bonds3

About 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea

1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea (PubChem CID 54359421) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea
PubChem CID54359421
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H15N3S/c19-15(18-14-8-4-5-9-16-14)17-13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2,(H2,16,17,18,19)/t12-,13-/m1/s1
InChIKeyULLIWPYXSUORQD-CHWSQXEVSA-N
XLogP2.92
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.92
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-(1H-imidazol-2-yl)-3-(2-phenylcyclopropyl)thiourea
CID 19704124
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
pyridin-2-ylthiourea
CID 1490491
1-(5-chloro-2-pyridinyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
CID 3001036
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
CID 780336
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
CID 800382
1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
CID 62133656
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea
CID 19703993
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea?
The IUPAC name of 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea (CID 54359421) is 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea is S=C(Nc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea?
The InChIKey is ULLIWPYXSUORQD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H15N3S/c19-15(18-14-8-4-5-9-16-14)17-13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2,(H2,16,17,18,19)/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea?
1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea has a molecular weight of 269.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea is sourced from PubChem (CID 54359421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).