4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine

C11H12ClFN4S — CID 152559154

IUPAC4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2nc(Cl)ncc2F)n1
InChIInChI=1S/C11H12ClFN4S/c1-11(2,3)7-5-18-10(15-7)17-8-6(13)4-14-9(12)16-8/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyYPCSVHKOWBRPSC-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.77
Rot. Bonds2

About 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine

4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 152559154) has the molecular formula C11H12ClFN4S and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID152559154
Molecular FormulaC11H12ClFN4S
Molecular Weight286.76 g/mol
Exact Mass286.05
IUPAC Name4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2nc(Cl)ncc2F)n1
InChIInChI=1S/C11H12ClFN4S/c1-11(2,3)7-5-18-10(15-7)17-8-6(13)4-14-9(12)16-8/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyYPCSVHKOWBRPSC-UHFFFAOYSA-N
XLogP3.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine
CID 12513498
3-(4-Amino-2-methyl-5-pyrimidyl methyl)-4-methyl thiazolium chloride
CID 14664690
5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 50952187
2-[4-[4-[(4-Tert-butyl-1,3-thiazol-2-yl)amino]-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol
CID 150910653
4-propan-2-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 168250983
2-Methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 63020197
2-chloro-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075468
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 79075706
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075801
2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79075900
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79076198

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine (CID 152559154) is 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2nc(Cl)ncc2F)n1.
What is the InChIKey of 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YPCSVHKOWBRPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4S/c1-11(2,3)7-5-18-10(15-7)17-8-6(13)4-14-9(12)16-8/h4-5H,1-3H3,(H,14,15,16,17).
What are the key properties of 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 286.76 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 152559154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).