9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine

C15H15N7S2 — CID 69287988

IUPAC9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine
SMILESCCCCn1c(Sc2nc3cccnc3s2)nc2c(N)ncnc21
InChIInChI=1S/C15H15N7S2/c1-2-3-7-22-12-10(11(16)18-8-19-12)21-14(22)24-15-20-9-5-4-6-17-13(9)23-15/h4-6,8H,2-3,7H2,1H3,(H2,16,18,19)
InChIKeyKVERVAALDCSRQI-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.36
Rot. Bonds5

About 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine

9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine (PubChem CID 69287988) has the molecular formula C15H15N7S2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine.

Molecular Properties

Compound Name9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine
PubChem CID69287988
Molecular FormulaC15H15N7S2
Molecular Weight357.47 g/mol
Exact Mass357.08
IUPAC Name9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine
SMILESCCCCn1c(Sc2nc3cccnc3s2)nc2c(N)ncnc21
InChIInChI=1S/C15H15N7S2/c1-2-3-7-22-12-10(11(16)18-8-19-12)21-14(22)24-15-20-9-5-4-6-17-13(9)23-15/h4-6,8H,2-3,7H2,1H3,(H2,16,18,19)
InChIKeyKVERVAALDCSRQI-UHFFFAOYSA-N
XLogP3.36
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine with MolForge

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Related Compounds

N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11448486
8-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-9-butyl-9H-purin-6-amine
CID 11850633
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-ethyl-9H-purin-6-amine
CID 11850636
8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-propyl-9H-purin-6-amine
CID 11850697
5-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-9-yl}pentanenitrile
CID 11850700
8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]-9H-purin-6-amine
CID 11850767
9-Butyl-8-(7-chloro-benzothiazol-2-ylsulfanyl)-9H-purine-6-ylamine
CID 11850832

Frequently Asked Questions

What is the IUPAC name of 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine?
The IUPAC name of 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine (CID 69287988) is 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine.
What is the SMILES notation for 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine?
The canonical SMILES for 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine is CCCCn1c(Sc2nc3cccnc3s2)nc2c(N)ncnc21.
What is the InChIKey of 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine?
The InChIKey is KVERVAALDCSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S2/c1-2-3-7-22-12-10(11(16)18-8-19-12)21-14(22)24-15-20-9-5-4-6-17-13(9)23-15/h4-6,8H,2-3,7H2,1H3,(H2,16,18,19).
What are the key properties of 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine?
9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine has a molecular weight of 357.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-8-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)purin-6-amine is sourced from PubChem (CID 69287988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).