1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea

C22H19N5S — CID 91927994

IUPAC1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea
SMILESCc1ccc2c(-c3ccccc3)nc(NNC(=S)Nc3ccccc3)nc2c1
InChIInChI=1S/C22H19N5S/c1-15-12-13-18-19(14-15)24-21(25-20(18)16-8-4-2-5-9-16)26-27-22(28)23-17-10-6-3-7-11-17/h2-14H,1H3,(H2,23,27,28)(H,24,25,26)
InChIKeyYOKOTQANMSZCTF-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.92
Rot. Bonds4

About 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea

1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea (PubChem CID 91927994) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea
PubChem CID91927994
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC Name1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea
SMILESCc1ccc2c(-c3ccccc3)nc(NNC(=S)Nc3ccccc3)nc2c1
InChIInChI=1S/C22H19N5S/c1-15-12-13-18-19(14-15)24-21(25-20(18)16-8-4-2-5-9-16)26-27-22(28)23-17-10-6-3-7-11-17/h2-14H,1H3,(H2,23,27,28)(H,24,25,26)
InChIKeyYOKOTQANMSZCTF-UHFFFAOYSA-N
XLogP4.92
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_G(5)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(7-chloro-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea
CID 100750673
1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-(2-phenylethyl)thiourea
CID 99803071
1-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]-3-phenylthiourea
CID 2331057
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
1-(4-methylanilino)-3-phenylthiourea
CID 3293751
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-fluorophenyl)thiourea
CID 8655396
1-carbamothioyl-3-[3-(carbamothioylcarbamothioylamino)-6-phenylphenanthridin-8-yl]thiourea
CID 24840997
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea (CID 91927994) is 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea is Cc1ccc2c(-c3ccccc3)nc(NNC(=S)Nc3ccccc3)nc2c1.
What is the InChIKey of 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea?
The InChIKey is YOKOTQANMSZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c1-15-12-13-18-19(14-15)24-21(25-20(18)16-8-4-2-5-9-16)26-27-22(28)23-17-10-6-3-7-11-17/h2-14H,1H3,(H2,23,27,28)(H,24,25,26).
What are the key properties of 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea?
1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea has a molecular weight of 385.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea is sourced from PubChem (CID 91927994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).