2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C9H13N3OS — CID 70843901

IUPAC2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCNc1sc2c(c1C(N)=O)CCNC2
InChIInChI=1S/C9H13N3OS/c1-11-9-7(8(10)13)5-2-3-12-4-6(5)14-9/h11-12H,2-4H2,1H3,(H2,10,13)
InChIKeyOPWIBFCAHLBTFS-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.53
Rot. Bonds2

About 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 70843901) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID70843901
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCNc1sc2c(c1C(N)=O)CCNC2
InChIInChI=1S/C9H13N3OS/c1-11-9-7(8(10)13)5-2-3-12-4-6(5)14-9/h11-12H,2-4H2,1H3,(H2,10,13)
InChIKeyOPWIBFCAHLBTFS-UHFFFAOYSA-N
XLogP0.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 71080269
ethane;2-(methylamino)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carboxamide;N-(4-methylphenyl)formamide
CID 144599994
1-[2-(3-methylbuta-1,3-dien-2-ylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethanone
CID 142107248
2-[(4-chlorocyclohexa-1,3-dien-1-yl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 129172274
2-(2-oxopropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 142049270
6-(2-hydroxyethyl)-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 129172309
2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35274190
N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
CID 156883419
N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
CID 2814699
methyl 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 43599773
2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2850359
(6R)-6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7830829

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 70843901) is 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is CNc1sc2c(c1C(N)=O)CCNC2.
What is the InChIKey of 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is OPWIBFCAHLBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-11-9-7(8(10)13)5-2-3-12-4-6(5)14-9/h11-12H,2-4H2,1H3,(H2,10,13).
What are the key properties of 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 70843901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).