N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine

C13H21N3S — CID 63997522

IUPACN,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESC#CC(C)(C)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H21N3S/c1-6-13(4,5)15-10-11-9-14-12(17-11)16(7-2)8-3/h1,9,15H,7-8,10H2,2-5H3
InChIKeyDSTNZVHKJFMUNH-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.49
Rot. Bonds6

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

N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63997522) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63997522
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESC#CC(C)(C)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H21N3S/c1-6-13(4,5)15-10-11-9-14-12(17-11)16(7-2)8-3/h1,9,15H,7-8,10H2,2-5H3
InChIKeyDSTNZVHKJFMUNH-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63998554
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
CID 62518572
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 63997522) is N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine is C#CC(C)(C)NCc1cnc(N(CC)CC)s1.
What is the InChIKey of N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is DSTNZVHKJFMUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-6-13(4,5)15-10-11-9-14-12(17-11)16(7-2)8-3/h1,9,15H,7-8,10H2,2-5H3.
What are the key properties of N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63997522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).