N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C16H10ClF3N4OS — CID 17440607

IUPACN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cnccn1
InChIInChI=1S/C16H10ClF3N4OS/c17-12-2-1-9(6-11(12)16(18,19)20)5-10-7-23-15(26-10)24-14(25)13-8-21-3-4-22-13/h1-4,6-8H,5H2,(H,23,24,25)
InChIKeyXTUWSGGXVZMIGS-UHFFFAOYSA-N
MW398.80 g/mol
LogP4.45
Rot. Bonds4

About N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 17440607) has the molecular formula C16H10ClF3N4OS and a molecular weight of 398.80 g/mol. Its IUPAC name is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID17440607
Molecular FormulaC16H10ClF3N4OS
Molecular Weight398.80 g/mol
Exact Mass398.02
IUPAC NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cnccn1
InChIInChI=1S/C16H10ClF3N4OS/c17-12-2-1-9(6-11(12)16(18,19)20)5-10-7-23-15(26-10)24-14(25)13-8-21-3-4-22-13/h1-4,6-8H,5H2,(H,23,24,25)
InChIKeyXTUWSGGXVZMIGS-UHFFFAOYSA-N
XLogP4.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166228141
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-cyclopentylpropanamide
CID 18836271
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3972040
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide
CID 20896704
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 18827729
(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18827601
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4860836
N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide
CID 71899796

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 17440607) is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cnccn1.
What is the InChIKey of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is XTUWSGGXVZMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4OS/c17-12-2-1-9(6-11(12)16(18,19)20)5-10-7-23-15(26-10)24-14(25)13-8-21-3-4-22-13/h1-4,6-8H,5H2,(H,23,24,25).
What are the key properties of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 398.80 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 17440607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).