N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide

C20H25ClN4O2S — CID 24547489

IUPACN-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H25ClN4O2S/c1-20(2,3)23-17(26)12-24-8-10-25(11-9-24)19(27)16-13-28-18(22-16)14-4-6-15(21)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,23,26)
InChIKeyUZMQDEQRRMHVDD-UHFFFAOYSA-N
MW420.97 g/mol
LogP3.14
Rot. Bonds4

About N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 24547489) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID24547489
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC NameN-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H25ClN4O2S/c1-20(2,3)23-17(26)12-24-8-10-25(11-9-24)19(27)16-13-28-18(22-16)14-4-6-15(21)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,23,26)
InChIKeyUZMQDEQRRMHVDD-UHFFFAOYSA-N
XLogP3.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24515634
N-butyl-2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 18163301
N-(2-chlorophenyl)-2-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 39440649
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
tert-butyl 4-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 60597678
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 55474755
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide (CID 24547489) is N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is UZMQDEQRRMHVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c1-20(2,3)23-17(26)12-24-8-10-25(11-9-24)19(27)16-13-28-18(22-16)14-4-6-15(21)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 420.97 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24547489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).