N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C13H11F2N5S — CID 46836937

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C13H11F2N5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15/h2-6,12H,1H3,(H,16,17)(H,18,19,20)
InChIKeyFBVJAMYBYHRYCX-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 46836937) has the molecular formula C13H11F2N5S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID46836937
Molecular FormulaC13H11F2N5S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C13H11F2N5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15/h2-6,12H,1H3,(H,16,17)(H,18,19,20)
InChIKeyFBVJAMYBYHRYCX-UHFFFAOYSA-N
XLogP3.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 46836937) is N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is FBVJAMYBYHRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15/h2-6,12H,1H3,(H,16,17)(H,18,19,20).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46836937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).