4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine

C8H14N2OS2 — CID 63857547

IUPAC4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCOCCCSCc1csc(N)n1
InChIInChI=1S/C8H14N2OS2/c1-11-3-2-4-12-5-7-6-13-8(9)10-7/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyWCMXYGLDELEDKS-UHFFFAOYSA-N
MW218.35 g/mol
LogP2.00
Rot. Bonds6

About 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine

4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 63857547) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID63857547
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCOCCCSCc1csc(N)n1
InChIInChI=1S/C8H14N2OS2/c1-11-3-2-4-12-5-7-6-13-8(9)10-7/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyWCMXYGLDELEDKS-UHFFFAOYSA-N
XLogP2.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 66219976
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 43617626
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 66228739
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 116686654
[5-(3-methoxypropylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062099
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
CID 42281861
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
CID 79239647
4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13363924
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(2-methoxyethyl)acetamide
CID 62800322

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine (CID 63857547) is 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine is COCCCSCc1csc(N)n1.
What is the InChIKey of 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WCMXYGLDELEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-11-3-2-4-12-5-7-6-13-8(9)10-7/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine?
4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 218.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63857547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).