N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

C14H21N3S2 — CID 79494518

IUPACN-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1csc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N3S2/c1-3-7-15-10-12-11-19-14(16-12)17(2)8-6-13-5-4-9-18-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3
InChIKeyNDHKDZNDWLCATJ-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.38
Rot. Bonds8

About N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 79494518) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID79494518
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1csc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N3S2/c1-3-7-15-10-12-11-19-14(16-12)17(2)8-6-13-5-4-9-18-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3
InChIKeyNDHKDZNDWLCATJ-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798
N-methyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43527744
2-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79486163
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (CID 79494518) is N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is CCCNCc1csc(N(C)CCc2cccs2)n1.
What is the InChIKey of N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is NDHKDZNDWLCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-3-7-15-10-12-11-19-14(16-12)17(2)8-6-13-5-4-9-18-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3.
What are the key properties of N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 295.48 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).