1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea

C18H16N4OS2 — CID 27057277

IUPAC1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C18H16N4OS2/c1-12-15(25-17(19-12)13-8-4-2-5-9-13)16(23)21-22-18(24)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBWAYJWZURIREFY-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.75
Rot. Bonds3

About 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea

1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea (PubChem CID 27057277) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea
PubChem CID27057277
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C18H16N4OS2/c1-12-15(25-17(19-12)13-8-4-2-5-9-13)16(23)21-22-18(24)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBWAYJWZURIREFY-UHFFFAOYSA-N
XLogP3.75
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea (CID 27057277) is 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea?
The InChIKey is BWAYJWZURIREFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-12-15(25-17(19-12)13-8-4-2-5-9-13)16(23)21-22-18(24)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea?
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea has a molecular weight of 368.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea is sourced from PubChem (CID 27057277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).