2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid

C16H19BrN4O3S — CID 90389234

IUPAC2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNC(=O)c1cc2c(Br)cnc(N3CCC(CCNC(=O)O)CC3)c2s1
InChIInChI=1S/C16H19BrN4O3S/c17-11-8-20-15(13-10(11)7-12(25-13)14(18)22)21-5-2-9(3-6-21)1-4-19-16(23)24/h7-9,19H,1-6H2,(H2,18,22)(H,23,24)
InChIKeySNSPKWRDYLLFDS-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 90389234) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID90389234
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid
SMILESNC(=O)c1cc2c(Br)cnc(N3CCC(CCNC(=O)O)CC3)c2s1
InChIInChI=1S/C16H19BrN4O3S/c17-11-8-20-15(13-10(11)7-12(25-13)14(18)22)21-5-2-9(3-6-21)1-4-19-16(23)24/h7-9,19H,1-6H2,(H2,18,22)(H,23,24)
InChIKeySNSPKWRDYLLFDS-UHFFFAOYSA-N
XLogP3.03
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid with MolForge

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Related Compounds

(S)-2-bromo-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52948643
7-(4-(2-Pivalamidoethyl)piperidin-1-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 71654989
2-Bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 72945547
2-Bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 72945549
US12421210, Example 13
CID 162502048
[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 166310254
(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid
CID 68500522
(3S)-3-[(2-bromo-7-carbamoylthieno[3,2-c]pyridin-4-yl)-methylamino]piperidine-1-carboxylic acid
CID 69008921
2-(2-amino-5-bromopyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
CID 70655596
7-Amino-4-bromothieno[2,3-c]pyridine-2-carboxamide
CID 76852960
tert-butyl (3S)-3-[[7-(aminocarbonyl)-2-bromothieno[3,2-c]pyridin-4-yl] (methyl)amino]piperidine-1-carboxylate
CID 86635628
7-(4-(2-Aminoethyl)piperidin-1-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 90389243

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid (CID 90389234) is 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid is NC(=O)c1cc2c(Br)cnc(N3CCC(CCNC(=O)O)CC3)c2s1.
What is the InChIKey of 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is SNSPKWRDYLLFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c17-11-8-20-15(13-10(11)7-12(25-13)14(18)22)21-5-2-9(3-6-21)1-4-19-16(23)24/h7-9,19H,1-6H2,(H2,18,22)(H,23,24).
What are the key properties of 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 427.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 90389234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).