1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide

C18H12Cl2N4OS — CID 11603783

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C18H12Cl2N4OS/c19-13-5-3-6-14(20)12(13)10-24-15-7-2-1-4-11(15)16(23-24)17(25)22-18-21-8-9-26-18/h1-9H,10H2,(H,21,22,25)
InChIKeyRBYUDNDAYDXWPS-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.10
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide (PubChem CID 11603783) has the molecular formula C18H12Cl2N4OS and a molecular weight of 403.29 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
PubChem CID11603783
Molecular FormulaC18H12Cl2N4OS
Molecular Weight403.29 g/mol
Exact Mass402.01
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C18H12Cl2N4OS/c19-13-5-3-6-14(20)12(13)10-24-15-7-2-1-4-11(15)16(23-24)17(25)22-18-21-8-9-26-18/h1-9H,10H2,(H,21,22,25)
InChIKeyRBYUDNDAYDXWPS-UHFFFAOYSA-N
XLogP5.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-4-oxo-N-(1,3-thiazol-2-yl)phthalazine-1-carboxamide
CID 2679207
1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide
CID 11590448
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
3-chloro-6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62172860
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide
CID 59606928
3-(2-methylpropyl)-4-oxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]phthalazine-1-carboxamide
CID 55669577
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 1470406
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide (CID 11603783) is 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide is O=C(Nc1nccs1)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The InChIKey is RBYUDNDAYDXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4OS/c19-13-5-3-6-14(20)12(13)10-24-15-7-2-1-4-11(15)16(23-24)17(25)22-18-21-8-9-26-18/h1-9H,10H2,(H,21,22,25).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide has a molecular weight of 403.29 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 11603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).