N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

C13H19N3S2 — CID 79494589

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CCc2cccs2)nc1C
InChIInChI=1S/C13H19N3S2/c1-10-12(9-14-2)18-13(15-10)16(3)7-6-11-5-4-8-17-11/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyPEDOHKOGPOTJML-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.91
Rot. Bonds6

About N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 79494589) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID79494589
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CCc2cccs2)nc1C
InChIInChI=1S/C13H19N3S2/c1-10-12(9-14-2)18-13(15-10)16(3)7-6-11-5-4-8-17-11/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyPEDOHKOGPOTJML-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 79494341
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 114852491
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79380668
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494518
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (CID 79494589) is N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)CCc2cccs2)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is PEDOHKOGPOTJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-10-12(9-14-2)18-13(15-10)16(3)7-6-11-5-4-8-17-11/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79494589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).