1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine

C11H18N2S3 — CID 115696168

IUPAC1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2CSCCS2)s1
InChIInChI=1S/C11H18N2S3/c1-2-11-13-7-9(16-11)5-12-6-10-8-14-3-4-15-10/h7,10,12H,2-6,8H2,1H3
InChIKeyZKJUYDHACMMOCD-UHFFFAOYSA-N
MW274.48 g/mol
LogP2.64
Rot. Bonds5

About 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 115696168) has the molecular formula C11H18N2S3 and a molecular weight of 274.48 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID115696168
Molecular FormulaC11H18N2S3
Molecular Weight274.48 g/mol
Exact Mass274.06
IUPAC Name1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2CSCCS2)s1
InChIInChI=1S/C11H18N2S3/c1-2-11-13-7-9(16-11)5-12-6-10-8-14-3-4-15-10/h7,10,12H,2-6,8H2,1H3
InChIKeyZKJUYDHACMMOCD-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 102837618
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115696114
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
methyl 2-[5-[(1,4-dithian-2-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 115908102
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-3-carboxylic acid
CID 113489320

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine (CID 115696168) is 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine is CCc1ncc(CNCC2CSCCS2)s1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is ZKJUYDHACMMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S3/c1-2-11-13-7-9(16-11)5-12-6-10-8-14-3-4-15-10/h7,10,12H,2-6,8H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 274.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115696168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).