N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide

C26H29ClFN5O2S — CID 122184140

IUPACN-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCC(=O)Nc1nc(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)s1
InChIInChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)
InChIKeySJHVCKKHMDJXRU-UHFFFAOYSA-N
MW530.07 g/mol
LogP6.35
Rot. Bonds6

About N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide

N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide (PubChem CID 122184140) has the molecular formula C26H29ClFN5O2S and a molecular weight of 530.07 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide
PubChem CID122184140
Molecular FormulaC26H29ClFN5O2S
Molecular Weight530.07 g/mol
Exact Mass529.17
IUPAC NameN-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCC(=O)Nc1nc(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)s1
InChIInChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)
InChIKeySJHVCKKHMDJXRU-UHFFFAOYSA-N
XLogP6.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide with MolForge

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Related Compounds

N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862157
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
(3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CID 11676373
6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)nicotinamide
CID 44565185
Tetrahydro-pyridin-3-yl]-pyrazin-2-yl}-benzamide
CID 45274293
[(6S)-6-[[(5-chloro-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 71622266
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
CID 118204277
Wnk-IN-11
CID 133080583
WNK-IN-11-d3
CID 137660903
N-[5-chloro-4-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]-4-fluorobenzamide
CID 141725856

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide (CID 122184140) is N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide is CC(=O)Nc1nc(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)s1.
What is the InChIKey of N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide?
The InChIKey is SJHVCKKHMDJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34).
What are the key properties of N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide?
N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide has a molecular weight of 530.07 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-4-propan-2-yl-1,3-thiazol-5-yl)-3-piperidin-1-yl-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 122184140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).