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

C18H24N2S — CID 114362069

IUPAC[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(C2CCCc3ccccc32)sc1CN
InChIInChI=1S/C18H24N2S/c1-12(2)10-16-17(11-19)21-18(20-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11,19H2,1-2H3
InChIKeyXHSYSLPBBWMGCI-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.27
Rot. Bonds4

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

[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362069) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362069
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(C2CCCc3ccccc32)sc1CN
InChIInChI=1S/C18H24N2S/c1-12(2)10-16-17(11-19)21-18(20-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11,19H2,1-2H3
InChIKeyXHSYSLPBBWMGCI-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114361633
[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-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanol
CID 63250668
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55174707
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841603
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361553
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 63250996
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350351

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine (CID 114362069) is [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(C2CCCc3ccccc32)sc1CN.
What is the InChIKey of [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is XHSYSLPBBWMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12(2)10-16-17(11-19)21-18(20-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11,19H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 300.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).