N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine

C11H12N6S — CID 39782171

IUPACN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
SMILESCc1csc([C@H](C)Nc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H12N6S/c1-6-3-18-11(16-6)7(2)17-10-8-9(13-4-12-8)14-5-15-10/h3-5,7H,1-2H3,(H2,12,13,14,15,17)/t7-/m0/s1
InChIKeyIFVYPQIMHOTRPS-ZETCQYMHSA-N
MW260.33 g/mol
LogP2.29
Rot. Bonds3

About N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine (PubChem CID 39782171) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
PubChem CID39782171
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
SMILESCc1csc([C@H](C)Nc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H12N6S/c1-6-3-18-11(16-6)7(2)17-10-8-9(13-4-12-8)14-5-15-10/h3-5,7H,1-2H3,(H2,12,13,14,15,17)/t7-/m0/s1
InChIKeyIFVYPQIMHOTRPS-ZETCQYMHSA-N
XLogP2.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80845227
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975958
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
2-[1-(7H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one
CID 136602511
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine (CID 39782171) is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine is Cc1csc([C@H](C)Nc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
The InChIKey is IFVYPQIMHOTRPS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N6S/c1-6-3-18-11(16-6)7(2)17-10-8-9(13-4-12-8)14-5-15-10/h3-5,7H,1-2H3,(H2,12,13,14,15,17)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine has a molecular weight of 260.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 39782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).