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

C13H18N4OS2 — CID 133399434

IUPACN-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOC1CCCC(Nc2ncnc3nc(SC)sc23)C1
InChIInChI=1S/C13H18N4OS2/c1-18-9-5-3-4-8(6-9)16-11-10-12(15-7-14-11)17-13(19-2)20-10/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyAZZWJQBOTOPRMY-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.18
Rot. Bonds4

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

N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133399434) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133399434
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOC1CCCC(Nc2ncnc3nc(SC)sc23)C1
InChIInChI=1S/C13H18N4OS2/c1-18-9-5-3-4-8(6-9)16-11-10-12(15-7-14-11)17-13(19-2)20-10/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyAZZWJQBOTOPRMY-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133308798
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133361669
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
6-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399232
[3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404612
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 133399476
methyl 3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoate
CID 133425064
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305779
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114118400
6-methoxy-N-(3-methoxycyclopentyl)-5-methylpyrimidin-4-amine
CID 114118126

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133399434) is N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is COC1CCCC(Nc2ncnc3nc(SC)sc23)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AZZWJQBOTOPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-18-9-5-3-4-8(6-9)16-11-10-12(15-7-14-11)17-13(19-2)20-10/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 310.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133399434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).