5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide

C22H25Cl2N5O2S — CID 24611277

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C22H25Cl2N5O2S/c1-13-8-28(9-14(2)31-13)11-17-12-32-22(25-17)26-21(30)19-15(3)27-29(20(19)24)10-16-6-4-5-7-18(16)23/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,30)
InChIKeyLSQAWXATTGYHJX-UHFFFAOYSA-N
MW494.45 g/mol
LogP4.86
Rot. Bonds6

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide (PubChem CID 24611277) has the molecular formula C22H25Cl2N5O2S and a molecular weight of 494.45 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
PubChem CID24611277
Molecular FormulaC22H25Cl2N5O2S
Molecular Weight494.45 g/mol
Exact Mass493.11
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C22H25Cl2N5O2S/c1-13-8-28(9-14(2)31-13)11-17-12-32-22(25-17)26-21(30)19-15(3)27-29(20(19)24)10-16-6-4-5-7-18(16)23/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,30)
InChIKeyLSQAWXATTGYHJX-UHFFFAOYSA-N
XLogP4.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
CID 55725553
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CID 51321385
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
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N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
4-chloro-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 25487721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide (CID 24611277) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?
The InChIKey is LSQAWXATTGYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2S/c1-13-8-28(9-14(2)31-13)11-17-12-32-22(25-17)26-21(30)19-15(3)27-29(20(19)24)10-16-6-4-5-7-18(16)23/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,30).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide has a molecular weight of 494.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 24611277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).