1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea

C15H17N3OS2 — CID 8656213

IUPAC1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
SMILESS=C(NC[C@@H]1CCCO1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3OS2/c20-15(17-10-13-2-1-8-19-13)18-12-5-3-11(4-6-12)14-16-7-9-21-14/h3-7,9,13H,1-2,8,10H2,(H2,17,18,20)/t13-/m0/s1
InChIKeyCZENFLBREFXDKS-ZDUSSCGKSA-N
MW319.45 g/mol
LogP3.28
Rot. Bonds4

About 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea

1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea (PubChem CID 8656213) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
PubChem CID8656213
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
SMILESS=C(NC[C@@H]1CCCO1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3OS2/c20-15(17-10-13-2-1-8-19-13)18-12-5-3-11(4-6-12)14-16-7-9-21-14/h3-7,9,13H,1-2,8,10H2,(H2,17,18,20)/t13-/m0/s1
InChIKeyCZENFLBREFXDKS-ZDUSSCGKSA-N
XLogP3.28
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]benzoic acid
CID 1133426
1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2913013
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648821
1-(4-cyclopentyloxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133179125
1-(6-methoxy-3-pyridinyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7943406
1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 8022384
1-[4-(4-bromophenyl)sulfanylphenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 4853256
1-(3-chloro-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 3627232
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 2955102
1-(1,3-benzodioxol-5-yl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8619202
1-(3,5-dichlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8658316

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea (CID 8656213) is 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea is S=C(NC[C@@H]1CCCO1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The InChIKey is CZENFLBREFXDKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3OS2/c20-15(17-10-13-2-1-8-19-13)18-12-5-3-11(4-6-12)14-16-7-9-21-14/h3-7,9,13H,1-2,8,10H2,(H2,17,18,20)/t13-/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea has a molecular weight of 319.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 8656213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).