2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine

C9H16N2OS — CID 116782565

IUPAC2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
SMILESCCC(CC)(OC)c1nc(N)cs1
InChIInChI=1S/C9H16N2OS/c1-4-9(5-2,12-3)8-11-7(10)6-13-8/h6H,4-5,10H2,1-3H3
InChIKeyYRLSSOIVMKHKNC-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine

2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine (PubChem CID 116782565) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
PubChem CID116782565
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
SMILESCCC(CC)(OC)c1nc(N)cs1
InChIInChI=1S/C9H16N2OS/c1-4-9(5-2,12-3)8-11-7(10)6-13-8/h6H,4-5,10H2,1-3H3
InChIKeyYRLSSOIVMKHKNC-UHFFFAOYSA-N
XLogP2.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 116774571
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazol-4-amine
CID 130909271
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 116774484
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
CID 116773982
5-chloro-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 116782254
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine (CID 116782565) is 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine is CCC(CC)(OC)c1nc(N)cs1.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine?
The InChIKey is YRLSSOIVMKHKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-9(5-2,12-3)8-11-7(10)6-13-8/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine?
2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine has a molecular weight of 200.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116782565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).