4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile

C10H14N2OS2 — CID 82440714

IUPAC4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
SMILESCCCSCc1nc(COC)c(C#N)s1
InChIInChI=1S/C10H14N2OS2/c1-3-4-14-7-10-12-8(6-13-2)9(5-11)15-10/h3-4,6-7H2,1-2H3
InChIKeyGHLCULIWNYBKQI-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.80
Rot. Bonds6

About 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile

4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82440714) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
PubChem CID82440714
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
SMILESCCCSCc1nc(COC)c(C#N)s1
InChIInChI=1S/C10H14N2OS2/c1-3-4-14-7-10-12-8(6-13-2)9(5-11)15-10/h3-4,6-7H2,1-2H3
InChIKeyGHLCULIWNYBKQI-UHFFFAOYSA-N
XLogP2.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320
4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82432148
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441073
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
N-[[4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
2-(4-tert-butylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441245
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301171
5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440671
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile (CID 82440714) is 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile is CCCSCc1nc(COC)c(C#N)s1.
What is the InChIKey of 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is GHLCULIWNYBKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-3-4-14-7-10-12-8(6-13-2)9(5-11)15-10/h3-4,6-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile?
4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82440714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).