2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C16H24N4OS2 — CID 119463249

IUPAC2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC3CCCNC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-3-20(4-2)16-19-15-13(23-16)8-12(22-15)14(21)18-10-11-6-5-7-17-9-11/h8,11,17H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyCJJOUKBKQRNQMH-UHFFFAOYSA-N
MW352.53 g/mol
LogP2.93
Rot. Bonds6

About 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 119463249) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID119463249
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC Name2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC3CCCNC3)cc2s1
InChIInChI=1S/C16H24N4OS2/c1-3-20(4-2)16-19-15-13(23-16)8-12(22-15)14(21)18-10-11-6-5-7-17-9-11/h8,11,17H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyCJJOUKBKQRNQMH-UHFFFAOYSA-N
XLogP2.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120947297
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119567442
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068
5-nitro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461374
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 119463249) is 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NCC3CCCNC3)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is CJJOUKBKQRNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-3-20(4-2)16-19-15-13(23-16)8-12(22-15)14(21)18-10-11-6-5-7-17-9-11/h8,11,17H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 352.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 119463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).