2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole

C8H5F2N3S2 — CID 164647838

IUPAC2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2cc(F)nc(F)n2)n1
InChIInChI=1S/C8H5F2N3S2/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3
InChIKeyAWHVZFVUFRMBOI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.67
Rot. Bonds2

About 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole

2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole (PubChem CID 164647838) has the molecular formula C8H5F2N3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
PubChem CID164647838
Molecular FormulaC8H5F2N3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2cc(F)nc(F)n2)n1
InChIInChI=1S/C8H5F2N3S2/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3
InChIKeyAWHVZFVUFRMBOI-UHFFFAOYSA-N
XLogP2.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridin-4-amine
CID 83269254
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 43166625
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridin-2-amine
CID 80653446
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine
CID 103553856
[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980174
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 63883545

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole (CID 164647838) is 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole is Cc1csc(Sc2cc(F)nc(F)n2)n1.
What is the InChIKey of 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is AWHVZFVUFRMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3S2/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3.
What are the key properties of 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 245.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 164647838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).