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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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).