N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

C14H14F3N3OS — CID 59866084

IUPACN-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCC(C)c1s/c(=N\C(=O)c2cccnc2)n(C)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3OS/c1-8(2)10-11(14(15,16)17)20(3)13(22-10)19-12(21)9-5-4-6-18-7-9/h4-8H,1-3H3/b19-13-
InChIKeyGSTNRXQVJCVGSA-UYRXBGFRSA-N
MW329.35 g/mol
LogP3.36
Rot. Bonds2

About N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (PubChem CID 59866084) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
PubChem CID59866084
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCC(C)c1s/c(=N\C(=O)c2cccnc2)n(C)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3OS/c1-8(2)10-11(14(15,16)17)20(3)13(22-10)19-12(21)9-5-4-6-18-7-9/h4-8H,1-3H3/b19-13-
InChIKeyGSTNRXQVJCVGSA-UYRXBGFRSA-N
XLogP3.36
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
CID 4995666
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1-pyridin-3-ylethanone
CID 168991838
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
2-amino-3-methylsulfanyl-1-pyridin-3-ylprop-2-en-1-one
CID 174924357
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (CID 59866084) is N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is CC(C)c1s/c(=N\C(=O)c2cccnc2)n(C)c1C(F)(F)F.
What is the InChIKey of N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The InChIKey is GSTNRXQVJCVGSA-UYRXBGFRSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-8(2)10-11(14(15,16)17)20(3)13(22-10)19-12(21)9-5-4-6-18-7-9/h4-8H,1-3H3/b19-13-.
What are the key properties of N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 59866084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).