N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine

C12H18N2S — CID 61333321

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C12H18N2S/c1-2-9(13-8-6-7-8)12-14-10-4-3-5-11(10)15-12/h8-9,13H,2-7H2,1H3
InChIKeyYABQUHXVHVTTSB-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.83
Rot. Bonds4

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

N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine (PubChem CID 61333321) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
PubChem CID61333321
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C12H18N2S/c1-2-9(13-8-6-7-8)12-14-10-4-3-5-11(10)15-12/h8-9,13H,2-7H2,1H3
InChIKeyYABQUHXVHVTTSB-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
CID 61332546
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345182
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine
CID 66130434
N-[(1-ethylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 103570211
N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
CID 102843080
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine
CID 61336052
N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
CID 61334295
N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
CID 61335859
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
CID 116504467
N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 66116918

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine (CID 61333321) is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine is CCC(NC1CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine?
The InChIKey is YABQUHXVHVTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-9(13-8-6-7-8)12-14-10-4-3-5-11(10)15-12/h8-9,13H,2-7H2,1H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine?
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine has a molecular weight of 222.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 61333321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).