N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide

C18H16F3N3O2S2 — CID 145485790

IUPACN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26)
InChIKeyWLFKWVOZFNSZLL-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.62
Rot. Bonds7

About N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide

N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide (PubChem CID 145485790) has the molecular formula C18H16F3N3O2S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide
PubChem CID145485790
Molecular FormulaC18H16F3N3O2S2
Molecular Weight427.47 g/mol
Exact Mass427.06
IUPAC NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26)
InChIKeyWLFKWVOZFNSZLL-UHFFFAOYSA-N
XLogP4.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide (CID 145485790) is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide is O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide?
The InChIKey is WLFKWVOZFNSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26).
What are the key properties of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide?
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-5-[[2-(trifluoromethyl)anilino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 145485790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).