4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine

C12H15N3S2 — CID 55010993

IUPAC4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1c2ccsc2CCN1Cc1csc(N)n1
InChIInChI=1S/C12H15N3S2/c1-8-10-3-5-16-11(10)2-4-15(8)6-9-7-17-12(13)14-9/h3,5,7-8H,2,4,6H2,1H3,(H2,13,14)
InChIKeyBTKBYCVYVMNBJI-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.91
Rot. Bonds2

About 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 55010993) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID55010993
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1c2ccsc2CCN1Cc1csc(N)n1
InChIInChI=1S/C12H15N3S2/c1-8-10-3-5-16-11(10)2-4-15(8)6-9-7-17-12(13)14-9/h3,5,7-8H,2,4,6H2,1H3,(H2,13,14)
InChIKeyBTKBYCVYVMNBJI-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine (CID 55010993) is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine is CC1c2ccsc2CCN1Cc1csc(N)n1.
What is the InChIKey of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BTKBYCVYVMNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8-10-3-5-16-11(10)2-4-15(8)6-9-7-17-12(13)14-9/h3,5,7-8H,2,4,6H2,1H3,(H2,13,14).
What are the key properties of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine?
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55010993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).