1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea

C19H23N3O2S — CID 100723368

IUPAC1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C19H23N3O2S/c1-12-6-5-7-17(20-12)22-18(25)21-15-11-19(2,3)24-16-10-13(23-4)8-9-14(15)16/h5-10,15H,11H2,1-4H3,(H2,20,21,22,25)/t15-/m1/s1
InChIKeyVGNOUYMPZYKMJB-OAHLLOKOSA-N
MW357.48 g/mol
LogP3.99
Rot. Bonds3

About 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea

1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea (PubChem CID 100723368) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea
PubChem CID100723368
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C19H23N3O2S/c1-12-6-5-7-17(20-12)22-18(25)21-15-11-19(2,3)24-16-10-13(23-4)8-9-14(15)16/h5-10,15H,11H2,1-4H3,(H2,20,21,22,25)/t15-/m1/s1
InChIKeyVGNOUYMPZYKMJB-OAHLLOKOSA-N
XLogP3.99
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)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-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100723441
1-(2,5-dimethylphenyl)-3-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133216045
1-(3,4-difluorophenyl)-3-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100722760
1-(3-chloro-4-methylphenyl)-3-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100722464
1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 133216097
1-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)thiourea
CID 100684096
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylthiourea
CID 99997514
ethyl 3-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamothioylamino]benzoate
CID 100722902
1-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100723168
1-(3-methoxyphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155109
1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100722579
ethyl 2-chloro-5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamothioylamino]benzoate
CID 133216093

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea (CID 100723368) is 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)n1.
What is the InChIKey of 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea?
The InChIKey is VGNOUYMPZYKMJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-6-5-7-17(20-12)22-18(25)21-15-11-19(2,3)24-16-10-13(23-4)8-9-14(15)16/h5-10,15H,11H2,1-4H3,(H2,20,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea?
1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea has a molecular weight of 357.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(6-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100723368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).