N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide

C23H27N3O2S — CID 175591633

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2nc(C3CCN(C)CC3)sc2c1
InChIInChI=1S/C23H27N3O2S/c1-26-13-10-17(11-14-26)23-25-19-8-7-18(15-21(19)29-23)22(27)24-12-9-16-5-3-4-6-20(16)28-2/h3-8,15,17H,9-14H2,1-2H3,(H,24,27)
InChIKeyGNVBDTYQGVIXDV-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 175591633) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID175591633
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2nc(C3CCN(C)CC3)sc2c1
InChIInChI=1S/C23H27N3O2S/c1-26-13-10-17(11-14-26)23-25-19-8-7-18(15-21(19)29-23)22(27)24-12-9-16-5-3-4-6-20(16)28-2/h3-8,15,17H,9-14H2,1-2H3,(H,24,27)
InChIKeyGNVBDTYQGVIXDV-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 175591631
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 110628856
N-[(4-cyanophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164875088
N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874866
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874859
N-[(2S)-1-[2-(2-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39335843
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611479
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide (CID 175591633) is N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide is COc1ccccc1CCNC(=O)c1ccc2nc(C3CCN(C)CC3)sc2c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is GNVBDTYQGVIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-26-13-10-17(11-14-26)23-25-19-8-7-18(15-21(19)29-23)22(27)24-12-9-16-5-3-4-6-20(16)28-2/h3-8,15,17H,9-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 175591633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).