N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

C20H20Cl2N4O3S — CID 71778335

IUPACN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2.Cl
InChIInChI=1S/C20H19ClN4O3S.ClH/c1-10-15(17(24-28-10)11-5-3-4-6-13(11)21)19(27)23-20-16(18(22)26)12-7-8-25(2)9-14(12)29-20;/h3-6H,7-9H2,1-2H3,(H2,22,26)(H,23,27);1H
InChIKeyZYMOGTXRNMNHIU-UHFFFAOYSA-N
MW467.38 g/mol
LogP4.13
Rot. Bonds4

About N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 71778335) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID71778335
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC NameN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2.Cl
InChIInChI=1S/C20H19ClN4O3S.ClH/c1-10-15(17(24-28-10)11-5-3-4-6-13(11)21)19(27)23-20-16(18(22)26)12-7-8-25(2)9-14(12)29-20;/h3-6H,7-9H2,1-2H3,(H2,22,26)(H,23,27);1H
InChIKeyZYMOGTXRNMNHIU-UHFFFAOYSA-N
XLogP4.13
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4115948
ethyl 6-acetyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950195
N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 16813895
3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1221182
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093886
2-[(4-fluorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4120098
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16847602
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3293195
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (CID 71778335) is N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2.Cl.
What is the InChIKey of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is ZYMOGTXRNMNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S.ClH/c1-10-15(17(24-28-10)11-5-3-4-6-13(11)21)19(27)23-20-16(18(22)26)12-7-8-25(2)9-14(12)29-20;/h3-6H,7-9H2,1-2H3,(H2,22,26)(H,23,27);1H.
What are the key properties of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 467.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 71778335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).