N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide

C18H20BrN5OS — CID 22194213

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1
InChIInChI=1S/C18H20BrN5OS/c1-3-24-10-13(8-20-24)9-23(2)11-17(25)22-18-21-16(12-26-18)14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,25)
InChIKeyKACXKFGMXAHCIW-UHFFFAOYSA-N
MW434.36 g/mol
LogP3.86
Rot. Bonds7

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22194213) has the molecular formula C18H20BrN5OS and a molecular weight of 434.36 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22194213
Molecular FormulaC18H20BrN5OS
Molecular Weight434.36 g/mol
Exact Mass433.06
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1
InChIInChI=1S/C18H20BrN5OS/c1-3-24-10-13(8-20-24)9-23(2)11-17(25)22-18-21-16(12-26-18)14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,25)
InChIKeyKACXKFGMXAHCIW-UHFFFAOYSA-N
XLogP3.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22196371
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16565451
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
CID 79832283
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716431
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265
methyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 22194238
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716034
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621598
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22194213) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide is CCn1cc(CN(C)CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is KACXKFGMXAHCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5OS/c1-3-24-10-13(8-20-24)9-23(2)11-17(25)22-18-21-16(12-26-18)14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,25).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 434.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22194213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).