3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine

C13H17N3S — CID 82539174

IUPAC3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCc2nccs2)c1
InChIInChI=1S/C13H17N3S/c1-16(2)12-5-3-4-11(10-12)14-7-6-13-15-8-9-17-13/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyNFRONLDSROEWQF-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.86
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 82539174) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
PubChem CID82539174
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCc2nccs2)c1
InChIInChI=1S/C13H17N3S/c1-16(2)12-5-3-4-11(10-12)14-7-6-13-15-8-9-17-13/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyNFRONLDSROEWQF-UHFFFAOYSA-N
XLogP2.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
CID 113297740
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
3-N,3-N-dimethyl-1-N-pent-3-ynylbenzene-1,3-diamine
CID 104807429
3-N,3-N-dimethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,3-diamine
CID 113326394
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 55232166
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine (CID 82539174) is 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine is CN(C)c1cccc(NCCc2nccs2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is NFRONLDSROEWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(2)12-5-3-4-11(10-12)14-7-6-13-15-8-9-17-13/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 82539174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).