2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide

C19H15F3N4O3S — CID 16745808

IUPAC2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(N)n2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N4O3S/c1-29-14-6-10(5-13(8-14)25-17(28)15-9-30-18(23)26-15)16(27)24-12-4-2-3-11(7-12)19(20,21)22/h2-9H,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyUJAVEIIDOSHHHM-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.26
Rot. Bonds5

About 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 16745808) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID16745808
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(N)n2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N4O3S/c1-29-14-6-10(5-13(8-14)25-17(28)15-9-30-18(23)26-15)16(27)24-12-4-2-3-11(7-12)19(20,21)22/h2-9H,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyUJAVEIIDOSHHHM-UHFFFAOYSA-N
XLogP4.26
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 69057355
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide (CID 16745808) is 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(N)n2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UJAVEIIDOSHHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-29-14-6-10(5-13(8-14)25-17(28)15-9-30-18(23)26-15)16(27)24-12-4-2-3-11(7-12)19(20,21)22/h2-9H,1H3,(H2,23,26)(H,24,27)(H,25,28).
What are the key properties of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16745808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).