N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

C25H28N6O2S — CID 131985289

IUPACN,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCC(C)c1noc(C2CCN(c3nc4ccc(-c5ccc(C(=O)N(C)C)cc5)nc4s3)CC2)n1
InChIInChI=1S/C25H28N6O2S/c1-15(2)21-28-22(33-29-21)17-11-13-31(14-12-17)25-27-20-10-9-19(26-23(20)34-25)16-5-7-18(8-6-16)24(32)30(3)4/h5-10,15,17H,11-14H2,1-4H3
InChIKeyWBZRFHHDVUNRTP-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.95
Rot. Bonds5

About N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 131985289) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID131985289
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCC(C)c1noc(C2CCN(c3nc4ccc(-c5ccc(C(=O)N(C)C)cc5)nc4s3)CC2)n1
InChIInChI=1S/C25H28N6O2S/c1-15(2)21-28-22(33-29-21)17-11-13-31(14-12-17)25-27-20-10-9-19(26-23(20)34-25)16-5-7-18(8-6-16)24(32)30(3)4/h5-10,15,17H,11-14H2,1-4H3
InChIKeyWBZRFHHDVUNRTP-UHFFFAOYSA-N
XLogP4.95
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine
CID 145380303
N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzamide;propane;4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
CID 158487116
5-[1-[5-(4-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985115
N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187352
3-fluoro-4-[5-fluoro-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]quinazolin-8-yl]-N,N-dimethylbenzamide
CID 54673791
(2-amino-1,3-benzothiazol-5-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155501762
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
N-[3-(dimethylamino)propyl]-1-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187253
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155503006
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (CID 131985289) is N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is CC(C)c1noc(C2CCN(c3nc4ccc(-c5ccc(C(=O)N(C)C)cc5)nc4s3)CC2)n1.
What is the InChIKey of N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is WBZRFHHDVUNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-15(2)21-28-22(33-29-21)17-11-13-31(14-12-17)25-27-20-10-9-19(26-23(20)34-25)16-5-7-18(8-6-16)24(32)30(3)4/h5-10,15,17H,11-14H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 476.61 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 131985289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).