N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

C13H17N3S — CID 55103704

IUPACN'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H17N3S/c1-16(8-7-14)9-12-10-17-13(15-12)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3
InChIKeyAKDRGNJBXSMCKO-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.20
Rot. Bonds5

About N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 55103704) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID55103704
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H17N3S/c1-16(8-7-14)9-12-10-17-13(15-12)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3
InChIKeyAKDRGNJBXSMCKO-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 43442512
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 55354062
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95893760

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 55103704) is N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is CN(CCN)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is AKDRGNJBXSMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(8-7-14)9-12-10-17-13(15-12)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3.
What are the key properties of N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55103704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).