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

C13H22N2S3 — CID 79966820

IUPACN-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CSCCS1
InChIInChI=1S/C13H22N2S3/c1-3-4-14-12(13-9-16-5-6-17-13)7-11-8-18-10(2)15-11/h8,12-14H,3-7,9H2,1-2H3
InChIKeyFWBUYISSCYUVBI-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.21
Rot. Bonds6

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

N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 79966820) has the molecular formula C13H22N2S3 and a molecular weight of 302.53 g/mol. Its IUPAC name is N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID79966820
Molecular FormulaC13H22N2S3
Molecular Weight302.53 g/mol
Exact Mass302.09
IUPAC NameN-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CSCCS1
InChIInChI=1S/C13H22N2S3/c1-3-4-14-12(13-9-16-5-6-17-13)7-11-8-18-10(2)15-11/h8,12-14H,3-7,9H2,1-2H3
InChIKeyFWBUYISSCYUVBI-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965376
N-[1-(1,4-dithian-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050245
N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105159068
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
N-[2-(3,4-difluorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 82923269
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547
N-[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79961284
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79961283
1-(1,4-dithian-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 79966723

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 79966820) is N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1csc(C)n1)C1CSCCS1.
What is the InChIKey of N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is FWBUYISSCYUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S3/c1-3-4-14-12(13-9-16-5-6-17-13)7-11-8-18-10(2)15-11/h8,12-14H,3-7,9H2,1-2H3.
What are the key properties of N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 302.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79966820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).