N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C19H19BrN6OS — CID 22199039

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H19BrN6OS/c20-15-4-2-14(3-5-15)16-13-28-19(23-16)24-17(27)12-25-8-10-26(11-9-25)18-21-6-1-7-22-18/h1-7,13H,8-12H2,(H,23,24,27)
InChIKeyMQHXZACGTNZKKO-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 22199039) has the molecular formula C19H19BrN6OS and a molecular weight of 459.37 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID22199039
Molecular FormulaC19H19BrN6OS
Molecular Weight459.37 g/mol
Exact Mass458.05
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H19BrN6OS/c20-15-4-2-14(3-5-15)16-13-28-19(23-16)24-17(27)12-25-8-10-26(11-9-25)18-21-6-1-7-22-18/h1-7,13H,8-12H2,(H,23,24,27)
InChIKeyMQHXZACGTNZKKO-UHFFFAOYSA-N
XLogP3.12
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199040
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197298
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194824
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 22199039) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is MQHXZACGTNZKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6OS/c20-15-4-2-14(3-5-15)16-13-28-19(23-16)24-17(27)12-25-8-10-26(11-9-25)18-21-6-1-7-22-18/h1-7,13H,8-12H2,(H,23,24,27).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 459.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).