N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H24N2S3 — CID 114364006

IUPACN-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CSCCS2)nc1CCC
InChIInChI=1S/C14H24N2S3/c1-3-5-11-12(9-15-6-4-2)19-14(16-11)13-10-17-7-8-18-13/h13,15H,3-10H2,1-2H3
InChIKeyWAPVWHYYQIDVNR-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.12
Rot. Bonds7

About N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114364006) has the molecular formula C14H24N2S3 and a molecular weight of 316.56 g/mol. Its IUPAC name is N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114364006
Molecular FormulaC14H24N2S3
Molecular Weight316.56 g/mol
Exact Mass316.11
IUPAC NameN-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CSCCS2)nc1CCC
InChIInChI=1S/C14H24N2S3/c1-3-5-11-12(9-15-6-4-2)19-14(16-11)13-10-17-7-8-18-13/h13,15H,3-10H2,1-2H3
InChIKeyWAPVWHYYQIDVNR-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.12
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

N-[[2-(3-ethyl-1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363903
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106445877
N-[[2-(1,4-dithian-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 79965892
N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107925861
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364019
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361282

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114364006) is N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CSCCS2)nc1CCC.
What is the InChIKey of N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WAPVWHYYQIDVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S3/c1-3-5-11-12(9-15-6-4-2)19-14(16-11)13-10-17-7-8-18-13/h13,15H,3-10H2,1-2H3.
What are the key properties of N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 316.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114364006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).