N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H8N6S2 — CID 108777079

IUPACN-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ncnc4nc[nH]c34)n2)c1
InChIInChI=1S/C12H8N6S2/c1-2-8(19-3-1)7-4-20-12(17-7)18-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17,18)
InChIKeyVVZGXTZEUZXQKR-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.28
Rot. Bonds3

About N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 108777079) has the molecular formula C12H8N6S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID108777079
Molecular FormulaC12H8N6S2
Molecular Weight300.37 g/mol
Exact Mass300.03
IUPAC NameN-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ncnc4nc[nH]c34)n2)c1
InChIInChI=1S/C12H8N6S2/c1-2-8(19-3-1)7-4-20-12(17-7)18-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17,18)
InChIKeyVVZGXTZEUZXQKR-UHFFFAOYSA-N
XLogP3.28
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
CID 108772051
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777072
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 55490829
2-[[5-(7H-purin-6-ylamino)-1,3,4-thiadiazol-2-yl]methyl]isoindole-1,3-dione
CID 108773848
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777078
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270

Frequently Asked Questions

What is the IUPAC name of N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 108777079) is N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is c1csc(-c2csc(Nc3ncnc4nc[nH]c34)n2)c1.
What is the InChIKey of N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is VVZGXTZEUZXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S2/c1-2-8(19-3-1)7-4-20-12(17-7)18-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17,18).
What are the key properties of N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).