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

C11H18N2S3 — CID 79965401

IUPACN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(C2CSCCS2)n1
InChIInChI=1S/C11H18N2S3/c1-8(2)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyJFWRPQZQYAOJRQ-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.16
Rot. Bonds4

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

N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 79965401) has the molecular formula C11H18N2S3 and a molecular weight of 274.48 g/mol. Its IUPAC name is N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID79965401
Molecular FormulaC11H18N2S3
Molecular Weight274.48 g/mol
Exact Mass274.06
IUPAC NameN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(C2CSCCS2)n1
InChIInChI=1S/C11H18N2S3/c1-8(2)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyJFWRPQZQYAOJRQ-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 79966841
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
N-[[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 113299783
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 79966453
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
2-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 79966451
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 79965401) is N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(C2CSCCS2)n1.
What is the InChIKey of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is JFWRPQZQYAOJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S3/c1-8(2)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,3-5,7H2,1-2H3.
What are the key properties of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 274.48 g/mol, XLogP of 3.16, 4 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)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79965401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).