N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C19H17FN4O4S — CID 16949000

IUPACN-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C19H17FN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyFOJGUHJSSPMXSZ-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.20
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16949000) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16949000
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C19H17FN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyFOJGUHJSSPMXSZ-UHFFFAOYSA-N
XLogP4.20
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3210657
N-(3-methoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567660
N-(3,4-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567666
2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733048
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 51002931
N-Cyclohexylcarbamoylmethyl-N-(3-methoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3212293
N-Cyclohexylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3212297
N-(3,4-dimethoxyphenyl)-2-(2-((3-(trifluoromethyl)phenyl)amino)thiazol-4-yl)acetamide
CID 30859931
2-((4-(difluoromethoxy)phenyl)amino)-N-(3,4-dimethoxyphenyl)thiazole-4-carboxamide
CID 30860203
2-acetamido-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 39046844

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16949000) is N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is FOJGUHJSSPMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).