5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide

C19H21ClN4O2S — CID 35524471

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)o2)c(C)c1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-10-4-6-14-16(8-10)27-19(21-14)22-18(25)15-7-5-13(26-15)9-24-12(3)17(20)11(2)23-24/h5,7,10H,4,6,8-9H2,1-3H3,(H,21,22,25)/t10-/m0/s1
InChIKeyHORMJFOHWZRVBU-JTQLQIEISA-N
MW404.92 g/mol
LogP4.63
Rot. Bonds4

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 35524471) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID35524471
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)o2)c(C)c1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-10-4-6-14-16(8-10)27-19(21-14)22-18(25)15-7-5-13(26-15)9-24-12(3)17(20)11(2)23-24/h5,7,10H,4,6,8-9H2,1-3H3,(H,21,22,25)/t10-/m0/s1
InChIKeyHORMJFOHWZRVBU-JTQLQIEISA-N
XLogP4.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 45148711
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18270741
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 18225928
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110226476
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98334363

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 35524471) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is HORMJFOHWZRVBU-JTQLQIEISA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-10-4-6-14-16(8-10)27-19(21-14)22-18(25)15-7-5-13(26-15)9-24-12(3)17(20)11(2)23-24/h5,7,10H,4,6,8-9H2,1-3H3,(H,21,22,25)/t10-/m0/s1.
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35524471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).