[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine

C16H20N2OS — CID 114361633

IUPAC[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2CCCc3ccccc32)sc1CN
InChIInChI=1S/C16H20N2OS/c1-19-10-14-15(9-17)20-16(18-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13H,4,6,8-10,17H2,1H3
InChIKeyUWKSHFTYTZMXJY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.22
Rot. Bonds4

About [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361633) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361633
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2CCCc3ccccc32)sc1CN
InChIInChI=1S/C16H20N2OS/c1-19-10-14-15(9-17)20-16(18-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13H,4,6,8-10,17H2,1H3
InChIKeyUWKSHFTYTZMXJY-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114362069
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63250583
2-(2,3-dihydro-1H-inden-1-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303839
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63250667
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 63246972
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63757945

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine (CID 114361633) is [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine is COCc1nc(C2CCCc3ccccc32)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is UWKSHFTYTZMXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-10-14-15(9-17)20-16(18-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13H,4,6,8-10,17H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).