N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H22N4OS2 — CID 124942891

IUPACN,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C19H22N4OS2/c1-22(2)19(24)17-16(15-6-3-7-20-18(15)26-17)13-5-4-8-23(9-13)10-14-11-25-12-21-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyAYLUVRGJJFEPPS-CYBMUJFWSA-N
MW386.55 g/mol
LogP3.83
Rot. Bonds4

About N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124942891) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID124942891
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC NameN,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C19H22N4OS2/c1-22(2)19(24)17-16(15-6-3-7-20-18(15)26-17)13-5-4-8-23(9-13)10-14-11-25-12-21-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyAYLUVRGJJFEPPS-CYBMUJFWSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124942891) is N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(Cc2cscn2)C1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AYLUVRGJJFEPPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-22(2)19(24)17-16(15-6-3-7-20-18(15)26-17)13-5-4-8-23(9-13)10-14-11-25-12-21-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).