N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C15H14F2N4OS2 — CID 133424953

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)Cc3ccc(OC(F)F)cc3)c2s1
InChIInChI=1S/C15H14F2N4OS2/c1-21(7-9-3-5-10(6-4-9)22-14(16)17)13-11-12(18-8-19-13)20-15(23-2)24-11/h3-6,8,14H,7H2,1-2H3
InChIKeyFSSLRZNNCOLCOC-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.05
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133424953) has the molecular formula C15H14F2N4OS2 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133424953
Molecular FormulaC15H14F2N4OS2
Molecular Weight368.43 g/mol
Exact Mass368.06
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)Cc3ccc(OC(F)F)cc3)c2s1
InChIInChI=1S/C15H14F2N4OS2/c1-21(7-9-3-5-10(6-4-9)22-14(16)17)13-11-12(18-8-19-13)20-15(23-2)24-11/h3-6,8,14H,7H2,1-2H3
InChIKeyFSSLRZNNCOLCOC-UHFFFAOYSA-N
XLogP4.05
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 35790116
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133409132
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770626
6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
CID 133424962

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133424953) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(N(C)Cc3ccc(OC(F)F)cc3)c2s1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FSSLRZNNCOLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4OS2/c1-21(7-9-3-5-10(6-4-9)22-14(16)17)13-11-12(18-8-19-13)20-15(23-2)24-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 368.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133424953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).