4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide

C22H22N4O2S2 — CID 60563188

IUPAC4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C22H22N4O2S2/c1-16-15-29-22(23-16)30-19-9-7-18(8-10-19)24-21(28)26-13-11-25(12-14-26)20(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyXMNFRHZMNDDHFE-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.59
Rot. Bonds4

About 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide

4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide (PubChem CID 60563188) has the molecular formula C22H22N4O2S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
PubChem CID60563188
Molecular FormulaC22H22N4O2S2
Molecular Weight438.58 g/mol
Exact Mass438.12
IUPAC Name4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C22H22N4O2S2/c1-16-15-29-22(23-16)30-19-9-7-18(8-10-19)24-21(28)26-13-11-25(12-14-26)20(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyXMNFRHZMNDDHFE-UHFFFAOYSA-N
XLogP4.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
CID 60546751
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 75417416
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 71940519
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112838505
4-benzoyl-N-[4-(1,3-thiazol-2-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 112824892
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55919535
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-2-carboxamide
CID 55919536
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55813133

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide (CID 60563188) is 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide is Cc1csc(Sc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)n1.
What is the InChIKey of 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The InChIKey is XMNFRHZMNDDHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S2/c1-16-15-29-22(23-16)30-19-9-7-18(8-10-19)24-21(28)26-13-11-25(12-14-26)20(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60563188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).