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

C17H22N2OS — CID 82427019

IUPACN-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOc1ccccc1-c1nc(C)c(CNC2CCCC2)s1
InChIInChI=1S/C17H22N2OS/c1-12-16(11-18-13-7-3-4-8-13)21-17(19-12)14-9-5-6-10-15(14)20-2/h5-6,9-10,13,18H,3-4,7-8,11H2,1-2H3
InChIKeySUUULZKHYUKCEN-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.16
Rot. Bonds5

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

N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82427019) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82427019
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOc1ccccc1-c1nc(C)c(CNC2CCCC2)s1
InChIInChI=1S/C17H22N2OS/c1-12-16(11-18-13-7-3-4-8-13)21-17(19-12)14-9-5-6-10-15(14)20-2/h5-6,9-10,13,18H,3-4,7-8,11H2,1-2H3
InChIKeySUUULZKHYUKCEN-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82427020
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104790778
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438334
N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440020
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82427019) is N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine is COc1ccccc1-c1nc(C)c(CNC2CCCC2)s1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is SUUULZKHYUKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-16(11-18-13-7-3-4-8-13)21-17(19-12)14-9-5-6-10-15(14)20-2/h5-6,9-10,13,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 302.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).