2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine

C13H18N2S2 — CID 105019639

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-4-10-5-6-16-13(10)11(14)7-12-15-8(2)9(3)17-12/h5-6,11H,4,7,14H2,1-3H3
InChIKeyRHSRHCIVYMMSMN-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.63
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 105019639) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID105019639
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-4-10-5-6-16-13(10)11(14)7-12-15-8(2)9(3)17-12/h5-6,11H,4,7,14H2,1-3H3
InChIKeyRHSRHCIVYMMSMN-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
1-(3-ethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 79975756
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104999362

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 105019639) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is RHSRHCIVYMMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-4-10-5-6-16-13(10)11(14)7-12-15-8(2)9(3)17-12/h5-6,11H,4,7,14H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105019639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).