N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C11H13ClN2O2S — CID 55010144

IUPACN-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC(=O)CCl
InChIInChI=1S/C11H13ClN2O2S/c1-7-8-3-5-17-9(8)2-4-14(7)11(16)13-10(15)6-12/h3,5,7H,2,4,6H2,1H3,(H,13,15,16)
InChIKeyRRFCDUHVALYBMS-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.14
Rot. Bonds1

About N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 55010144) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID55010144
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC NameN-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC(=O)CCl
InChIInChI=1S/C11H13ClN2O2S/c1-7-8-3-5-17-9(8)2-4-14(7)11(16)13-10(15)6-12/h3,5,7H,2,4,6H2,1H3,(H,13,15,16)
InChIKeyRRFCDUHVALYBMS-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
(4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6975463
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid
CID 79801206
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
2,2-dimethyl-N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]propanamide
CID 71943214
4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
CID 7188888
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 55010144) is N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NC(=O)CCl.
What is the InChIKey of N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RRFCDUHVALYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7-8-3-5-17-9(8)2-4-14(7)11(16)13-10(15)6-12/h3,5,7H,2,4,6H2,1H3,(H,13,15,16).
What are the key properties of N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 272.76 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 55010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).