1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea

C15H18N4O3S2 — CID 4136730

IUPAC1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-9-16-15(23)17-12-5-7-13(8-6-12)24(20,21)19-14-10(2)11(3)18-22-14/h4-8,19H,1,9H2,2-3H3,(H2,16,17,23)
InChIKeyYTLXLQWQQGLSNT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea

1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea (PubChem CID 4136730) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
PubChem CID4136730
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-9-16-15(23)17-12-5-7-13(8-6-12)24(20,21)19-14-10(2)11(3)18-22-14/h4-8,19H,1,9H2,2-3H3,(H2,16,17,23)
InChIKeyYTLXLQWQQGLSNT-UHFFFAOYSA-N
XLogP2.56
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea 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-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25048651
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25045123
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-phenoxyphenyl)thiourea
CID 25035426
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
5-acetyl-4-amino-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 118710639
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea (CID 4136730) is 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The InChIKey is YTLXLQWQQGLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-4-9-16-15(23)17-12-5-7-13(8-6-12)24(20,21)19-14-10(2)11(3)18-22-14/h4-8,19H,1,9H2,2-3H3,(H2,16,17,23).
What are the key properties of 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea has a molecular weight of 366.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea is sourced from PubChem (CID 4136730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).