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

C15H21N3S2 — CID 43780954

IUPACN,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccccc2SC)s1
InChIInChI=1S/C15H21N3S2/c1-4-18(5-2)15-17-11-12(20-15)10-16-13-8-6-7-9-14(13)19-3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyNTMBICTXFGMJMK-UHFFFAOYSA-N
MW307.49 g/mol
LogP4.32
Rot. Bonds7

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

N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 43780954) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID43780954
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC NameN,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccccc2SC)s1
InChIInChI=1S/C15H21N3S2/c1-4-18(5-2)15-17-11-12(20-15)10-16-13-8-6-7-9-14(13)19-3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyNTMBICTXFGMJMK-UHFFFAOYSA-N
XLogP4.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 107609410
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
5-[(2-bromo-4-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 81263479
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
5-[(4-bromo-2-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43774908
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine (CID 43780954) is N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2ccccc2SC)s1.
What is the InChIKey of N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is NTMBICTXFGMJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-4-18(5-2)15-17-11-12(20-15)10-16-13-8-6-7-9-14(13)19-3/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43780954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).