N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide

C20H23ClN4OS — CID 55796237

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n(C(C)(C)C)n1
InChIInChI=1S/C20H23ClN4OS/c1-13-8-17(25(24-13)20(2,3)4)23-18(26)11-16-12-27-19(22-16)10-14-6-5-7-15(21)9-14/h5-9,12H,10-11H2,1-4H3,(H,23,26)
InChIKeyKECLQPQHUPVXEK-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.83
Rot. Bonds5

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55796237) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55796237
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n(C(C)(C)C)n1
InChIInChI=1S/C20H23ClN4OS/c1-13-8-17(25(24-13)20(2,3)4)23-18(26)11-16-12-27-19(22-16)10-14-6-5-7-15(21)9-14/h5-9,12H,10-11H2,1-4H3,(H,23,26)
InChIKeyKECLQPQHUPVXEK-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 43069168
N-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-3-methoxybenzamide
CID 112822169
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 55668062
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 55670780

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide (CID 55796237) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide is Cc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is KECLQPQHUPVXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-13-8-17(25(24-13)20(2,3)4)23-18(26)11-16-12-27-19(22-16)10-14-6-5-7-15(21)9-14/h5-9,12H,10-11H2,1-4H3,(H,23,26).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.95 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55796237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).