2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate

C12H14N4O3S — CID 83215440

IUPAC2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
SMILESCc1ccc2c(N)c(C(=O)NCCOC(N)=O)sc2n1
InChIInChI=1S/C12H14N4O3S/c1-6-2-3-7-8(13)9(20-11(7)16-6)10(17)15-4-5-19-12(14)18/h2-3H,4-5,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyDOBAYBXTEMRSSB-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.01
Rot. Bonds4

About 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate

2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate (PubChem CID 83215440) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
PubChem CID83215440
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
SMILESCc1ccc2c(N)c(C(=O)NCCOC(N)=O)sc2n1
InChIInChI=1S/C12H14N4O3S/c1-6-2-3-7-8(13)9(20-11(7)16-6)10(17)15-4-5-19-12(14)18/h2-3H,4-5,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyDOBAYBXTEMRSSB-UHFFFAOYSA-N
XLogP1.01
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158878428
3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107421057
2-[3-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]acetic acid;hydrochloride
CID 155556827
3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 130302975
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 114759397
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide
CID 177260744
3-amino-6-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 167148190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate (CID 83215440) is 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate is Cc1ccc2c(N)c(C(=O)NCCOC(N)=O)sc2n1.
What is the InChIKey of 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate?
The InChIKey is DOBAYBXTEMRSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-6-2-3-7-8(13)9(20-11(7)16-6)10(17)15-4-5-19-12(14)18/h2-3H,4-5,13H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate?
2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate has a molecular weight of 294.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83215440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).