N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

C16H27N3S — CID 79060778

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H27N3S/c1-13-18-14(12-20-13)11-15(17-2)16(7-3-4-8-16)19-9-5-6-10-19/h12,15,17H,3-11H2,1-2H3
InChIKeyGXGPNZBTDUSPOL-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (PubChem CID 79060778) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
PubChem CID79060778
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H27N3S/c1-13-18-14(12-20-13)11-15(17-2)16(7-3-4-8-16)19-9-5-6-10-19/h12,15,17H,3-11H2,1-2H3
InChIKeyGXGPNZBTDUSPOL-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242887
1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 107049969
1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 79068032
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116762382
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 82869589
2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060381
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (CID 79060778) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is CNC(Cc1csc(C)n1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The InChIKey is GXGPNZBTDUSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13-18-14(12-20-13)11-15(17-2)16(7-3-4-8-16)19-9-5-6-10-19/h12,15,17H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79060778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).