N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide

C22H19ClFN3O2S — CID 118935169

IUPACN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)cs1
InChIInChI=1S/C22H19ClFN3O2S/c1-12-26-19(11-30-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)20-7-6-16-17(20)8-14(23)9-18(16)24/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,25,28)/t20-/m1/s1
InChIKeyNTUWQMQZUXQJRP-HXUWFJFHSA-N
MW443.93 g/mol
LogP4.67
Rot. Bonds5

About N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 118935169) has the molecular formula C22H19ClFN3O2S and a molecular weight of 443.93 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID118935169
Molecular FormulaC22H19ClFN3O2S
Molecular Weight443.93 g/mol
Exact Mass443.09
IUPAC NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)cs1
InChIInChI=1S/C22H19ClFN3O2S/c1-12-26-19(11-30-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)20-7-6-16-17(20)8-14(23)9-18(16)24/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,25,28)/t20-/m1/s1
InChIKeyNTUWQMQZUXQJRP-HXUWFJFHSA-N
XLogP4.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 118935169) is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)cs1.
What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NTUWQMQZUXQJRP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19ClFN3O2S/c1-12-26-19(11-30-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)20-7-6-16-17(20)8-14(23)9-18(16)24/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,25,28)/t20-/m1/s1.
What are the key properties of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118935169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).