7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C12H9ClF2N4S2 — CID 142875275

IUPAC7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESNC1Nc2nc(SCc3cccc(F)c3F)nc(Cl)c2S1
InChIInChI=1S/C12H9ClF2N4S2/c13-9-8-10(18-11(16)21-8)19-12(17-9)20-4-5-2-1-3-6(14)7(5)15/h1-3,11H,4,16H2,(H,17,18,19)
InChIKeyJFBNVMSCJWKYFY-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.46
Rot. Bonds3

About 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 142875275) has the molecular formula C12H9ClF2N4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID142875275
Molecular FormulaC12H9ClF2N4S2
Molecular Weight346.82 g/mol
Exact Mass345.99
IUPAC Name7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESNC1Nc2nc(SCc3cccc(F)c3F)nc(Cl)c2S1
InChIInChI=1S/C12H9ClF2N4S2/c13-9-8-10(18-11(16)21-8)19-12(17-9)20-4-5-2-1-3-6(14)7(5)15/h1-3,11H,4,16H2,(H,17,18,19)
InChIKeyJFBNVMSCJWKYFY-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 142875275) is 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is NC1Nc2nc(SCc3cccc(F)c3F)nc(Cl)c2S1.
What is the InChIKey of 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is JFBNVMSCJWKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N4S2/c13-9-8-10(18-11(16)21-8)19-12(17-9)20-4-5-2-1-3-6(14)7(5)15/h1-3,11H,4,16H2,(H,17,18,19).
What are the key properties of 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 346.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 142875275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).