N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

C18H13F2N3O4S — CID 30860208

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13F2N3O4S/c19-17(20)27-12-4-1-10(2-5-12)22-18-23-13(8-28-18)16(24)21-11-3-6-14-15(7-11)26-9-25-14/h1-8,17H,9H2,(H,21,24)(H,22,23)
InChIKeyMYJBBULEQDUKTO-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.47
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 30860208) has the molecular formula C18H13F2N3O4S and a molecular weight of 405.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
PubChem CID30860208
Molecular FormulaC18H13F2N3O4S
Molecular Weight405.38 g/mol
Exact Mass405.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13F2N3O4S/c19-17(20)27-12-4-1-10(2-5-12)22-18-23-13(8-28-18)16(24)21-11-3-6-14-15(7-11)26-9-25-14/h1-8,17H,9H2,(H,21,24)(H,22,23)
InChIKeyMYJBBULEQDUKTO-UHFFFAOYSA-N
XLogP4.47
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (CID 30860208) is N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is MYJBBULEQDUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4S/c19-17(20)27-12-4-1-10(2-5-12)22-18-23-13(8-28-18)16(24)21-11-3-6-14-15(7-11)26-9-25-14/h1-8,17H,9H2,(H,21,24)(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).