2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C26H29N5O2S — CID 164571980

IUPAC2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C(=O)NC)cc4)cn23)CC1
InChIInChI=1S/C26H29N5O2S/c1-3-12-30-13-10-20(11-14-30)28-25(33)19-8-9-22-23(15-19)34-26-29-21(16-31(22)26)17-4-6-18(7-5-17)24(32)27-2/h4-9,15-16,20H,3,10-14H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyXLPBFOBAWOSGKI-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.18
Rot. Bonds6

About 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571980) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571980
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C(=O)NC)cc4)cn23)CC1
InChIInChI=1S/C26H29N5O2S/c1-3-12-30-13-10-20(11-14-30)28-25(33)19-8-9-22-23(15-19)34-26-29-21(16-31(22)26)17-4-6-18(7-5-17)24(32)27-2/h4-9,15-16,20H,3,10-14H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyXLPBFOBAWOSGKI-UHFFFAOYSA-N
XLogP4.18
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
2-[4-(methylcarbamoyl)phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571726
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576
2-[4-(methylcarbamoyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571678
N-methyl-4-[6-(5-pyrrolidin-1-ylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167691694
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163435
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
N-(2-azaspiro[3.3]heptan-6-yl)-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide;formic acid
CID 172763244
2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170717518
4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167666013
4-[6-[3-(2,2-difluorocyclopropyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167532679
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571980) is 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCCN1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C(=O)NC)cc4)cn23)CC1.
What is the InChIKey of 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is XLPBFOBAWOSGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-3-12-30-13-10-20(11-14-30)28-25(33)19-8-9-22-23(15-19)34-26-29-21(16-31(22)26)17-4-6-18(7-5-17)24(32)27-2/h4-9,15-16,20H,3,10-14H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).