N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

C21H12F6N4OS — CID 74223854

IUPACN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C21H12F6N4OS/c22-20(23,24)13-5-12(6-14(7-13)21(25,26)27)18-28-8-16(31-18)11-1-3-15(4-2-11)30-19(32)17-9-33-10-29-17/h1-10H,(H,28,31)(H,30,32)
InChIKeyKXPZRANITACCMG-UHFFFAOYSA-N
MW482.41 g/mol
LogP6.49
Rot. Bonds4

About N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 74223854) has the molecular formula C21H12F6N4OS and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID74223854
Molecular FormulaC21H12F6N4OS
Molecular Weight482.41 g/mol
Exact Mass482.06
IUPAC NameN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C21H12F6N4OS/c22-20(23,24)13-5-12(6-14(7-13)21(25,26)27)18-28-8-16(31-18)11-1-3-15(4-2-11)30-19(32)17-9-33-10-29-17/h1-10H,(H,28,31)(H,30,32)
InChIKeyKXPZRANITACCMG-UHFFFAOYSA-N
XLogP6.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 74223854) is N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc1)c1cscn1.
What is the InChIKey of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KXPZRANITACCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N4OS/c22-20(23,24)13-5-12(6-14(7-13)21(25,26)27)18-28-8-16(31-18)11-1-3-15(4-2-11)30-19(32)17-9-33-10-29-17/h1-10H,(H,28,31)(H,30,32).
What are the key properties of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 482.41 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74223854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).