N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine

C10H10N6S — CID 49432029

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
SMILESc1csc(CCNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H10N6S/c1(7-11-3-4-17-7)2-12-9-8-10(14-5-13-8)16-6-15-9/h3-6H,1-2H2,(H2,12,13,14,15,16)
InChIKeyKECOSQVHWCAMLF-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine

N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine (PubChem CID 49432029) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
PubChem CID49432029
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
SMILESc1csc(CCNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C10H10N6S/c1(7-11-3-4-17-7)2-12-9-8-10(14-5-13-8)16-6-15-9/h3-6H,1-2H2,(H2,12,13,14,15,16)
InChIKeyKECOSQVHWCAMLF-UHFFFAOYSA-N
XLogP1.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975621
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
CID 133390542

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine (CID 49432029) is N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine is c1csc(CCNc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The InChIKey is KECOSQVHWCAMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1(7-11-3-4-17-7)2-12-9-8-10(14-5-13-8)16-6-15-9/h3-6H,1-2H2,(H2,12,13,14,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine has a molecular weight of 246.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 49432029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).