N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H23N3S — CID 115562469

IUPACN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CC3CCCC3C2)sc1CNC1CC1
InChIInChI=1S/C15H23N3S/c1-10-14(7-16-13-5-6-13)19-15(17-10)18-8-11-3-2-4-12(11)9-18/h11-13,16H,2-9H2,1H3
InChIKeyOKKLPFASJZBJDZ-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.94
Rot. Bonds4

About N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 115562469) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID115562469
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CC3CCCC3C2)sc1CNC1CC1
InChIInChI=1S/C15H23N3S/c1-10-14(7-16-13-5-6-13)19-15(17-10)18-8-11-3-2-4-12(11)9-18/h11-13,16H,2-9H2,1H3
InChIKeyOKKLPFASJZBJDZ-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 115562445
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55217979
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767596
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767636
N-[[4-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79933512
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115562464
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79178304
N-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427431
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 115562442
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115562385
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 115562469) is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1nc(N2CC3CCCC3C2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is OKKLPFASJZBJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10-14(7-16-13-5-6-13)19-15(17-10)18-8-11-3-2-4-12(11)9-18/h11-13,16H,2-9H2,1H3.
What are the key properties of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 277.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).