1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one

C19H27N5OS — CID 71740502

IUPAC1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c1-14(2)19(25)23-8-3-17(4-9-23)24-13-16(20-21-24)12-22-7-5-18-15(11-22)6-10-26-18/h6,10,13-14,17H,3-5,7-9,11-12H2,1-2H3
InChIKeySHSYAIAWGXLBNQ-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 71740502) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID71740502
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c1-14(2)19(25)23-8-3-17(4-9-23)24-13-16(20-21-24)12-22-7-5-18-15(11-22)6-10-26-18/h6,10,13-14,17H,3-5,7-9,11-12H2,1-2H3
InChIKeySHSYAIAWGXLBNQ-UHFFFAOYSA-N
XLogP2.72
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 71740502) is 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SHSYAIAWGXLBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-14(2)19(25)23-8-3-17(4-9-23)24-13-16(20-21-24)12-22-7-5-18-15(11-22)6-10-26-18/h6,10,13-14,17H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 373.53 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71740502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).