4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C24H25N5OS2 — CID 59680148

IUPAC4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1
InChIInChI=1S/C24H25N5OS2/c1-31-19-8-6-17(7-9-19)23(30)26-21-5-3-2-4-20(21)22-15-29-18(16-32-24(29)27-22)14-28-12-10-25-11-13-28/h2-9,15-16,25H,10-14H2,1H3,(H,26,30)
InChIKeyYKHNWOKNWWQHPX-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.44
Rot. Bonds6

About 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 59680148) has the molecular formula C24H25N5OS2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID59680148
Molecular FormulaC24H25N5OS2
Molecular Weight463.63 g/mol
Exact Mass463.15
IUPAC Name4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1
InChIInChI=1S/C24H25N5OS2/c1-31-19-8-6-17(7-9-19)23(30)26-21-5-3-2-4-20(21)22-15-29-18(16-32-24(29)27-22)14-28-12-10-25-11-13-28/h2-9,15-16,25H,10-14H2,1H3,(H,26,30)
InChIKeyYKHNWOKNWWQHPX-UHFFFAOYSA-N
XLogP4.44
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680302
4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
CID 102265423
4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 25108829
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[2-[3-[(2-aminoethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 143408806
2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 68668358
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884
4-[[6-(2-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]morpholine
CID 59680036
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122283017
tert-butyl 4-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazine-1-carboxylate
CID 25232525
3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 161433671
3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 59679890

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 59680148) is 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is CSc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is YKHNWOKNWWQHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS2/c1-31-19-8-6-17(7-9-19)23(30)26-21-5-3-2-4-20(21)22-15-29-18(16-32-24(29)27-22)14-28-12-10-25-11-13-28/h2-9,15-16,25H,10-14H2,1H3,(H,26,30).
What are the key properties of 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 463.63 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 59680148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).