[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine

C13H20N2OS — CID 114361948

IUPAC[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C3CC3)c(CN)s2)CCCC1
InChIInChI=1S/C13H20N2OS/c1-16-13(6-2-3-7-13)12-15-11(9-4-5-9)10(8-14)17-12/h9H,2-8,14H2,1H3
InChIKeyFGKLHFIVRIHEQT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds4

About [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361948) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361948
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C3CC3)c(CN)s2)CCCC1
InChIInChI=1S/C13H20N2OS/c1-16-13(6-2-3-7-13)12-15-11(9-4-5-9)10(8-14)17-12/h9H,2-8,14H2,1H3
InChIKeyFGKLHFIVRIHEQT-UHFFFAOYSA-N
XLogP2.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361912
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 116730669
[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116778134
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361819
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine (CID 114361948) is [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine is COC1(c2nc(C3CC3)c(CN)s2)CCCC1.
What is the InChIKey of [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FGKLHFIVRIHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-16-13(6-2-3-7-13)12-15-11(9-4-5-9)10(8-14)17-12/h9H,2-8,14H2,1H3.
What are the key properties of [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).