N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C16H16N4OS2 — CID 133361669

IUPACN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cccc2c1CCC2Nc1ncnc2nc(SC)sc12
InChIInChI=1S/C16H16N4OS2/c1-21-12-5-3-4-9-10(12)6-7-11(9)19-14-13-15(18-8-17-14)20-16(22-2)23-13/h3-5,8,11H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyDHNVHGJOPVDPTB-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.92
Rot. Bonds4

About N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133361669) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133361669
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cccc2c1CCC2Nc1ncnc2nc(SC)sc12
InChIInChI=1S/C16H16N4OS2/c1-21-12-5-3-4-9-10(12)6-7-11(9)19-14-13-15(18-8-17-14)20-16(22-2)23-13/h3-5,8,11H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyDHNVHGJOPVDPTB-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133399434
3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
CID 133361670
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133361642
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 133361794
[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133361728
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 133361710
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412619
4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103930811

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133361669) is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is COc1cccc2c1CCC2Nc1ncnc2nc(SC)sc12.
What is the InChIKey of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DHNVHGJOPVDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-21-12-5-3-4-9-10(12)6-7-11(9)19-14-13-15(18-8-17-14)20-16(22-2)23-13/h3-5,8,11H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 344.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133361669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).