N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide

C26H30N4O3S2 — CID 26841250

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)C1
InChIInChI=1S/C26H30N4O3S2/c1-19-6-5-14-30(16-19)35(32,33)22-11-9-21(10-12-22)25(31)28-26-27-23-13-15-29(18-24(23)34-26)17-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,27,28,31)/t19-/m0/s1
InChIKeyUZQFSHHNCQXHBP-IBGZPJMESA-N
MW510.69 g/mol
LogP4.37
Rot. Bonds6

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 26841250) has the molecular formula C26H30N4O3S2 and a molecular weight of 510.69 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID26841250
Molecular FormulaC26H30N4O3S2
Molecular Weight510.69 g/mol
Exact Mass510.18
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)C1
InChIInChI=1S/C26H30N4O3S2/c1-19-6-5-14-30(16-19)35(32,33)22-11-9-21(10-12-22)25(31)28-26-27-23-13-15-29(18-24(23)34-26)17-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,27,28,31)/t19-/m0/s1
InChIKeyUZQFSHHNCQXHBP-IBGZPJMESA-N
XLogP4.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44976448
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dipropylsulfamoyl)benzamide;hydrochloride
CID 44827139
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4228919
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44975817
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2388087
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
4-(3-methylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 3333979
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
6-benzyl-2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806251

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide (CID 26841250) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide is C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)C1.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is UZQFSHHNCQXHBP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N4O3S2/c1-19-6-5-14-30(16-19)35(32,33)22-11-9-21(10-12-22)25(31)28-26-27-23-13-15-29(18-24(23)34-26)17-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,27,28,31)/t19-/m0/s1.
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 510.69 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 26841250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).