2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C19H17F2N3O4S — CID 30860203

IUPAC2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)cc1OC
InChIInChI=1S/C19H17F2N3O4S/c1-26-15-8-5-12(9-16(15)27-2)22-17(25)14-10-29-19(24-14)23-11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,25)(H,23,24)
InChIKeyVMZBUCOXWJVLPW-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.76
Rot. Bonds8

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

2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 30860203) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID30860203
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)cc1OC
InChIInChI=1S/C19H17F2N3O4S/c1-26-15-8-5-12(9-16(15)27-2)22-17(25)14-10-29-19(24-14)23-11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,25)(H,23,24)
InChIKeyVMZBUCOXWJVLPW-UHFFFAOYSA-N
XLogP4.76
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 30860203) is 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)cc1OC.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VMZBUCOXWJVLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c1-26-15-8-5-12(9-16(15)27-2)22-17(25)14-10-29-19(24-14)23-11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).