2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C15H22N4O2S2 — CID 120947297

IUPAC2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC3CNCC3O)cc2s1
InChIInChI=1S/C15H22N4O2S2/c1-3-19(4-2)15-18-14-12(23-15)5-11(22-14)13(21)17-7-9-6-16-8-10(9)20/h5,9-10,16,20H,3-4,6-8H2,1-2H3,(H,17,21)
InChIKeyYIOJDCAHSVSZDP-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.51
Rot. Bonds6

About 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 120947297) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID120947297
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCC3CNCC3O)cc2s1
InChIInChI=1S/C15H22N4O2S2/c1-3-19(4-2)15-18-14-12(23-15)5-11(22-14)13(21)17-7-9-6-16-8-10(9)20/h5,9-10,16,20H,3-4,6-8H2,1-2H3,(H,17,21)
InChIKeyYIOJDCAHSVSZDP-UHFFFAOYSA-N
XLogP1.51
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119463249
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 120944224
N-(2-amino-2-phenylethyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119528992
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119567442
2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47069990
N-(1-amino-2-methylpropan-2-yl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 119524051
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
2-(diethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865012
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 120947297) is 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NCC3CNCC3O)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is YIOJDCAHSVSZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-3-19(4-2)15-18-14-12(23-15)5-11(22-14)13(21)17-7-9-6-16-8-10(9)20/h5,9-10,16,20H,3-4,6-8H2,1-2H3,(H,17,21).
What are the key properties of 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 120947297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).