N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide

C12H18N2OS — CID 145201768

IUPACN-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide
SMILESCc1c(NC=O)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C12H18N2OS/c1-8(2)14-5-4-10-9(3)12(13-7-15)16-11(10)6-14/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyVEIOZOYBQBWOSD-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.39
Rot. Bonds3

About N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide

N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide (PubChem CID 145201768) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide.

Molecular Properties

Compound NameN-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide
PubChem CID145201768
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide
SMILESCc1c(NC=O)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C12H18N2OS/c1-8(2)14-5-4-10-9(3)12(13-7-15)16-11(10)6-14/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyVEIOZOYBQBWOSD-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)propanamide
CID 4282187
methyl 2-(2-methylpropanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3324067
tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate
CID 145202300
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
methyl 2-(naphthalene-2-carbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4050209
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
CID 3714895
2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806277
methyl 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4201460
2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806305
2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 4183537
methyl 2-[(4-methylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989548

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide?
The IUPAC name of N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide (CID 145201768) is N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide.
What is the SMILES notation for N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide?
The canonical SMILES for N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide is Cc1c(NC=O)sc2c1CCN(C(C)C)C2.
What is the InChIKey of N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide?
The InChIKey is VEIOZOYBQBWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)14-5-4-10-9(3)12(13-7-15)16-11(10)6-14/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide?
N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide has a molecular weight of 238.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)formamide is sourced from PubChem (CID 145201768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).