N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine

C12H20N2S — CID 115732815

IUPACN-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCCC1(CNCc2cncs2)CCCC1
InChIInChI=1S/C12H20N2S/c1-2-12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,2-7,9H2,1H3
InChIKeyNVPWZCKDAAHMAN-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.20
Rot. Bonds5

About N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine

N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 115732815) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
PubChem CID115732815
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCCC1(CNCc2cncs2)CCCC1
InChIInChI=1S/C12H20N2S/c1-2-12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,2-7,9H2,1H3
InChIKeyNVPWZCKDAAHMAN-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732724
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 104874274
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 62758172
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
N-[(1-ethylcyclopentyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 103768740
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine (CID 115732815) is N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine is CCC1(CNCc2cncs2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is NVPWZCKDAAHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,2-7,9H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115732815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).