1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

C18H17N5O2S2 — CID 46192880

IUPAC1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccccc1NC(=S)NNC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N5O2S2/c1-25-15-10-6-5-9-13(15)19-17(26)23-22-16(24)21-18-20-14(11-27-18)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,23,26)(H2,20,21,22,24)
InChIKeyDNUYIEXZZMWPSH-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.84
Rot. Bonds4

About 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 46192880) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID46192880
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC Name1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccccc1NC(=S)NNC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N5O2S2/c1-25-15-10-6-5-9-13(15)19-17(26)23-22-16(24)21-18-20-14(11-27-18)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,23,26)(H2,20,21,22,24)
InChIKeyDNUYIEXZZMWPSH-UHFFFAOYSA-N
XLogP3.84
TPSA87.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea 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

N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
CID 171814784
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
CID 3949957
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 46192880) is 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is COc1ccccc1NC(=S)NNC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is DNUYIEXZZMWPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c1-25-15-10-6-5-9-13(15)19-17(26)23-22-16(24)21-18-20-14(11-27-18)12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,23,26)(H2,20,21,22,24).
What are the key properties of 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 399.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 46192880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).