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

C17H22N2OS — CID 82440020

IUPACN-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(-c2ccccc2)sc1CNC1CCCC1
InChIInChI=1S/C17H22N2OS/c1-20-12-15-16(11-18-14-9-5-6-10-14)21-17(19-15)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3
InChIKeyLGDSOHNFAZDXNI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.99
Rot. Bonds6

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

N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82440020) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82440020
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(-c2ccccc2)sc1CNC1CCCC1
InChIInChI=1S/C17H22N2OS/c1-20-12-15-16(11-18-14-9-5-6-10-14)21-17(19-15)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3
InChIKeyLGDSOHNFAZDXNI-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82441318
N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366687
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
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-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82440020) is N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine is COCc1nc(-c2ccccc2)sc1CNC1CCCC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is LGDSOHNFAZDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-20-12-15-16(11-18-14-9-5-6-10-14)21-17(19-15)13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 302.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82440020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).