1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea

C17H15ClN4OS2 — CID 146000944

IUPAC1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea
SMILESCOc1ccc(-c2c[nH]c(=S)n2NC(=S)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4OS2/c1-23-14-8-2-11(3-9-14)15-10-19-17(25)22(15)21-16(24)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,25)(H2,20,21,24)
InChIKeyUTXOJASAJHIPLV-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.82
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea

1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea (PubChem CID 146000944) has the molecular formula C17H15ClN4OS2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea
PubChem CID146000944
Molecular FormulaC17H15ClN4OS2
Molecular Weight390.92 g/mol
Exact Mass390.04
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea
SMILESCOc1ccc(-c2c[nH]c(=S)n2NC(=S)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4OS2/c1-23-14-8-2-11(3-9-14)15-10-19-17(25)22(15)21-16(24)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,25)(H2,20,21,24)
InChIKeyUTXOJASAJHIPLV-UHFFFAOYSA-N
XLogP4.82
TPSA54.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-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-(4-chloroanilino)-3-(4-methoxyphenyl)thiourea
CID 8619679
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
CID 17112503
O-(4-methylphenyl) N-(4-chlorophenyl)carbamothioate
CID 901822
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196943
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100765643
1-(4-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655735
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea (CID 146000944) is 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea is COc1ccc(-c2c[nH]c(=S)n2NC(=S)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea?
The InChIKey is UTXOJASAJHIPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS2/c1-23-14-8-2-11(3-9-14)15-10-19-17(25)22(15)21-16(24)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,25)(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea?
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea has a molecular weight of 390.92 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea is sourced from PubChem (CID 146000944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).