N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine

C15H20N2OS2 — CID 82441318

IUPACN-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(-c2cccs2)sc1CNC1CCCC1
InChIInChI=1S/C15H20N2OS2/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h4,7-8,11,16H,2-3,5-6,9-10H2,1H3
InChIKeyPLKWSPTVTXYISA-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.05
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine

N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82441318) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82441318
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC NameN-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(-c2cccs2)sc1CNC1CCCC1
InChIInChI=1S/C15H20N2OS2/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h4,7-8,11,16H,2-3,5-6,9-10H2,1H3
InChIKeyPLKWSPTVTXYISA-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440020
N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82437415
N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366687
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796
N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82439257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82441318) is N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine is COCc1nc(-c2cccs2)sc1CNC1CCCC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is PLKWSPTVTXYISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h4,7-8,11,16H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 308.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82441318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).