2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine

C14H24N2S — CID 112644091

IUPAC2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cncs2)CCCC1
InChIInChI=1S/C14H24N2S/c1-12(2)8-15-10-14(5-3-4-6-14)7-13-9-16-11-17-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyYACOPHXIYOAMAB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.49
Rot. Bonds6

About 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 112644091) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID112644091
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cncs2)CCCC1
InChIInChI=1S/C14H24N2S/c1-12(2)8-15-10-14(5-3-4-6-14)7-13-9-16-11-17-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyYACOPHXIYOAMAB-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 114113294
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 115979418
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112644687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 112644091) is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine is CC(C)CNCC1(Cc2cncs2)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is YACOPHXIYOAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(2)8-15-10-14(5-3-4-6-14)7-13-9-16-11-17-13/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 112644091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).