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

C11H16N2S3 — CID 79965491

IUPACN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1sc(C2CSCCS2)nc1CNC1CC1
InChIInChI=1S/C11H16N2S3/c1-2-8(1)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,1-5,7H2
InChIKeyYJBPUDJNXQDFKB-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.92
Rot. Bonds4

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

N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 79965491) has the molecular formula C11H16N2S3 and a molecular weight of 272.46 g/mol. Its IUPAC name is N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID79965491
Molecular FormulaC11H16N2S3
Molecular Weight272.46 g/mol
Exact Mass272.05
IUPAC NameN-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1sc(C2CSCCS2)nc1CNC1CC1
InChIInChI=1S/C11H16N2S3/c1-2-8(1)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,1-5,7H2
InChIKeyYJBPUDJNXQDFKB-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]propan-2-amine
CID 79965401
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
2-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 79966451
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65404612
1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 79966453
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66384396
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79088243
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 79965491) is N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is c1sc(C2CSCCS2)nc1CNC1CC1.
What is the InChIKey of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YJBPUDJNXQDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S3/c1-2-8(1)12-5-9-6-16-11(13-9)10-7-14-3-4-15-10/h6,8,10,12H,1-5,7H2.
What are the key properties of N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 272.46 g/mol, XLogP of 2.92, 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]cyclopropanamine is sourced from PubChem (CID 79965491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).