N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide

C24H22FN5O2S2 — CID 25071545

IUPACN-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O2S2/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-13-33-12-17(30)11-26-23(31)20-18-5-3-4-6-19(18)29(2)28-20/h3-10,17H,11-13H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyLZFXHAKBURVKOJ-QGZVFWFLSA-N
MW495.61 g/mol
LogP4.09
Rot. Bonds5

About N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide

N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 25071545) has the molecular formula C24H22FN5O2S2 and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
PubChem CID25071545
Molecular FormulaC24H22FN5O2S2
Molecular Weight495.61 g/mol
Exact Mass495.12
IUPAC NameN-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O2S2/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-13-33-12-17(30)11-26-23(31)20-18-5-3-4-6-19(18)29(2)28-20/h3-10,17H,11-13H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyLZFXHAKBURVKOJ-QGZVFWFLSA-N
XLogP4.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-1,3-benzoxazole-7-carboxamide
CID 91258637
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073410
2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
CID 91133140
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 91282091
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)-1-benzofuran-4-carboxamide
CID 25073409
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
[(4R)-4-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68592798
N-[[(4R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-5-carboxamide
CID 91485936

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide (CID 25071545) is N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide?
The InChIKey is LZFXHAKBURVKOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22FN5O2S2/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-13-33-12-17(30)11-26-23(31)20-18-5-3-4-6-19(18)29(2)28-20/h3-10,17H,11-13H2,1-2H3,(H,26,31)/t17-/m1/s1.
What are the key properties of N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide?
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 25071545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).