1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine

C18H21N3S2 — CID 110221989

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1cccc(CNC(Cc2ccsc2)c2nc(C)c(C)s2)n1
InChIInChI=1S/C18H21N3S2/c1-12-5-4-6-16(20-12)10-19-17(9-15-7-8-22-11-15)18-21-13(2)14(3)23-18/h4-8,11,17,19H,9-10H2,1-3H3
InChIKeyIMFRSGBKUISELU-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.60
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 110221989) has the molecular formula C18H21N3S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID110221989
Molecular FormulaC18H21N3S2
Molecular Weight343.52 g/mol
Exact Mass343.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1cccc(CNC(Cc2ccsc2)c2nc(C)c(C)s2)n1
InChIInChI=1S/C18H21N3S2/c1-12-5-4-6-16(20-12)10-19-17(9-15-7-8-22-11-15)18-21-13(2)14(3)23-18/h4-8,11,17,19H,9-10H2,1-3H3
InChIKeyIMFRSGBKUISELU-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine (CID 110221989) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine is Cc1cccc(CNC(Cc2ccsc2)c2nc(C)c(C)s2)n1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is IMFRSGBKUISELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S2/c1-12-5-4-6-16(20-12)10-19-17(9-15-7-8-22-11-15)18-21-13(2)14(3)23-18/h4-8,11,17,19H,9-10H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 343.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110221989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).