N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

C13H18N2S2 — CID 65169277

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(C(C)Nc2nc(C)c(C)s2)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-7-6-12(11(5)16-7)9(3)15-13-14-8(2)10(4)17-13/h6,9H,1-5H3,(H,14,15)
InChIKeyMTQNBVUWJVNUAF-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.61
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169277) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169277
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(C(C)Nc2nc(C)c(C)s2)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-7-6-12(11(5)16-7)9(3)15-13-14-8(2)10(4)17-13/h6,9H,1-5H3,(H,14,15)
InChIKeyMTQNBVUWJVNUAF-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169277) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1cc(C(C)Nc2nc(C)c(C)s2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MTQNBVUWJVNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-7-6-12(11(5)16-7)9(3)15-13-14-8(2)10(4)17-13/h6,9H,1-5H3,(H,14,15).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 266.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).