5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

C15H20ClN3S — CID 43758575

IUPAC5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2cccc(Cl)c2C)s1
InChIInChI=1S/C15H20ClN3S/c1-4-19(5-2)15-18-10-12(20-15)9-17-14-8-6-7-13(16)11(14)3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyYAPBFFJLUNYJIH-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.56
Rot. Bonds6

About 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 43758575) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID43758575
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2cccc(Cl)c2C)s1
InChIInChI=1S/C15H20ClN3S/c1-4-19(5-2)15-18-10-12(20-15)9-17-14-8-6-7-13(16)11(14)3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyYAPBFFJLUNYJIH-UHFFFAOYSA-N
XLogP4.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
5-[(4-bromo-2-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43774908
5-[(2-bromo-4-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 81263479
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83072746
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
CID 62810541
2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 62500593

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 43758575) is 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2cccc(Cl)c2C)s1.
What is the InChIKey of 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is YAPBFFJLUNYJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-4-19(5-2)15-18-10-12(20-15)9-17-14-8-6-7-13(16)11(14)3/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 309.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).