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

C8H14N2S — CID 82503234

IUPAC[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1ncsc1CN
InChIInChI=1S/C8H14N2S/c1-6(2)3-7-8(4-9)11-5-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeyCEDXCCGSEADRFL-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.80
Rot. Bonds3

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

[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82503234) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82503234
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1ncsc1CN
InChIInChI=1S/C8H14N2S/c1-6(2)3-7-8(4-9)11-5-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeyCEDXCCGSEADRFL-UHFFFAOYSA-N
XLogP1.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368513
4-benzyl-5-(2-methylpropyl)-1,3-thiazole
CID 54324335
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361998
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 122696460

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 82503234) is [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1ncsc1CN.
What is the InChIKey of [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CEDXCCGSEADRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)3-7-8(4-9)11-5-10-7/h5-6H,3-4,9H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 170.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82503234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).