2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

C17H19N5O2S — CID 72855517

IUPAC2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1
InChIInChI=1S/C17H19N5O2S/c18-15(23)10-22-7-4-19-16(22)11-1-5-21(6-2-11)17(24)13-9-14-12(20-13)3-8-25-14/h3-4,7-9,11,20H,1-2,5-6,10H2,(H2,18,23)
InChIKeyJFXCZTDEGLRGMK-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.93
Rot. Bonds4

About 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72855517) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72855517
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1
InChIInChI=1S/C17H19N5O2S/c18-15(23)10-22-7-4-19-16(22)11-1-5-21(6-2-11)17(24)13-9-14-12(20-13)3-8-25-14/h3-4,7-9,11,20H,1-2,5-6,10H2,(H2,18,23)
InChIKeyJFXCZTDEGLRGMK-UHFFFAOYSA-N
XLogP1.93
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97285996
2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72872009
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
4-ethyl-2-methyl-5-[(3S)-1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95222497
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72919642
2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72913616
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 99982136
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72855517) is 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1.
What is the InChIKey of 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is JFXCZTDEGLRGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-15(23)10-22-7-4-19-16(22)11-1-5-21(6-2-11)17(24)13-9-14-12(20-13)3-8-25-14/h3-4,7-9,11,20H,1-2,5-6,10H2,(H2,18,23).
What are the key properties of 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72855517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).