4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine

C9H16N2OS — CID 102981948

IUPAC4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCCC(C)OCc1csc(N)n1
InChIInChI=1S/C9H16N2OS/c1-3-4-7(2)12-5-8-6-13-9(10)11-8/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGFSGHPCMPHAPAE-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.43
Rot. Bonds5

About 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine

4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine (PubChem CID 102981948) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
PubChem CID102981948
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCCC(C)OCc1csc(N)n1
InChIInChI=1S/C9H16N2OS/c1-3-4-7(2)12-5-8-6-13-9(10)11-8/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGFSGHPCMPHAPAE-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
CID 106908718
4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
CID 43137916
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
2-chloro-6-(pentan-2-yloxymethyl)pyridine
CID 102981475
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
4-(chloromethyl)-2-(octan-2-yloxymethyl)-1,3-thiazole
CID 43138236
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine (CID 102981948) is 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine is CCCC(C)OCc1csc(N)n1.
What is the InChIKey of 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine?
The InChIKey is GFSGHPCMPHAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-4-7(2)12-5-8-6-13-9(10)11-8/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine?
4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 102981948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).