N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine

C13H16N4OS — CID 50974600

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2nc3c(s2)CCC3)ncn1
InChIInChI=1S/C13H16N4OS/c1-18-12-7-11(15-8-16-12)14-6-5-13-17-9-3-2-4-10(9)19-13/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyZDLOUDGYODNGMB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 50974600) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID50974600
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2nc3c(s2)CCC3)ncn1
InChIInChI=1S/C13H16N4OS/c1-18-12-7-11(15-8-16-12)14-6-5-13-17-9-3-2-4-10(9)19-13/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyZDLOUDGYODNGMB-UHFFFAOYSA-N
XLogP2.09
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 133415324
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 94282036
[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 135115677
6-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 50970145
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
CID 167879475
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine (CID 50974600) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NCCc2nc3c(s2)CCC3)ncn1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is ZDLOUDGYODNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-18-12-7-11(15-8-16-12)14-6-5-13-17-9-3-2-4-10(9)19-13/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 276.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 50974600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).