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

C10H14N4S2 — CID 156900793

IUPACN-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCC(C)C)c2s1
InChIInChI=1S/C10H14N4S2/c1-6(2)4-11-8-7-9(13-5-12-8)14-10(15-3)16-7/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyIGNCGYUUURKNSJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.88
Rot. Bonds4

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

N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 156900793) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID156900793
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC NameN-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCC(C)C)c2s1
InChIInChI=1S/C10H14N4S2/c1-6(2)4-11-8-7-9(13-5-12-8)14-10(15-3)16-7/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyIGNCGYUUURKNSJ-UHFFFAOYSA-N
XLogP2.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133391775
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
(2S)-2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoic acid
CID 122049448
2,2-dimethyl-N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]propanamide
CID 133326859
methyl 3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoate
CID 133425064
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305779
4-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]benzene-1,2-diol
CID 133428928
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
N-[2-(3,4-difluorophenoxy)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133291768
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 166238015
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133312029

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 156900793) is N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NCC(C)C)c2s1.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IGNCGYUUURKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-6(2)4-11-8-7-9(13-5-12-8)14-10(15-3)16-7/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 254.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 156900793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).