5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C11H15N3S2 — CID 62750166

IUPAC5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(C)Cc2ccsc2)s1
InChIInChI=1S/C11H15N3S2/c1-8(12)10-5-13-11(16-10)14(2)6-9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3
InChIKeyNAPOKYZODJPMPX-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.86
Rot. Bonds4

About 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62750166) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62750166
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(C)Cc2ccsc2)s1
InChIInChI=1S/C11H15N3S2/c1-8(12)10-5-13-11(16-10)14(2)6-9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3
InChIKeyNAPOKYZODJPMPX-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565
5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622630
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
1-[2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 62753873
5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
CID 55113901
5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750532
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 62750166) is 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CC(N)c1cnc(N(C)Cc2ccsc2)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is NAPOKYZODJPMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8(12)10-5-13-11(16-10)14(2)6-9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).