7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C10H15F2N3S — CID 142605703

IUPAC7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCNc1nc2c(s1)CN(C(C)C)CC2(F)F
InChIInChI=1S/C10H15F2N3S/c1-6(2)15-4-7-8(10(11,12)5-15)14-9(13-3)16-7/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRZPNTVNJFIYEX-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.50
Rot. Bonds2

About 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 142605703) has the molecular formula C10H15F2N3S and a molecular weight of 247.31 g/mol. Its IUPAC name is 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID142605703
Molecular FormulaC10H15F2N3S
Molecular Weight247.31 g/mol
Exact Mass247.10
IUPAC Name7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCNc1nc2c(s1)CN(C(C)C)CC2(F)F
InChIInChI=1S/C10H15F2N3S/c1-6(2)15-4-7-8(10(11,12)5-15)14-9(13-3)16-7/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRZPNTVNJFIYEX-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 142605703) is 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is CNc1nc2c(s1)CN(C(C)C)CC2(F)F.
What is the InChIKey of 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is LRZPNTVNJFIYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S/c1-6(2)15-4-7-8(10(11,12)5-15)14-9(13-3)16-7/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 247.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 142605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).