1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea

C19H25N3OS — CID 100714699

IUPAC1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
SMILESCOc1cccnc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C19H25N3OS/c1-14(13-19(2,3)15-9-6-5-7-10-15)21-18(24)22-17-16(23-4)11-8-12-20-17/h5-12,14H,13H2,1-4H3,(H2,20,21,22,24)/t14-/m0/s1
InChIKeyHMZQEFIXTFPMID-AWEZNQCLSA-N
MW343.50 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea

1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea (PubChem CID 100714699) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
PubChem CID100714699
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
SMILESCOc1cccnc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C19H25N3OS/c1-14(13-19(2,3)15-9-6-5-7-10-15)21-18(24)22-17-16(23-4)11-8-12-20-17/h5-12,14H,13H2,1-4H3,(H2,20,21,22,24)/t14-/m0/s1
InChIKeyHMZQEFIXTFPMID-AWEZNQCLSA-N
XLogP4.13
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]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

1-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 133230923
1-(3-ethoxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154922
1-(4-methylphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713378
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
1-(2,6-difluorophenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100714050
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100707457
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651701
methyl 3-[[(2R)-4-methyl-4-phenylpentan-2-yl]carbamothioylamino]benzoate
CID 100714162
1-(3-fluorophenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713872
1-(3-chlorophenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154893
1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713865

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea (CID 100714699) is 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea is COc1cccnc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The InChIKey is HMZQEFIXTFPMID-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(13-19(2,3)15-9-6-5-7-10-15)21-18(24)22-17-16(23-4)11-8-12-20-17/h5-12,14H,13H2,1-4H3,(H2,20,21,22,24)/t14-/m0/s1.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea has a molecular weight of 343.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea is sourced from PubChem (CID 100714699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).