N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide

C18H18ClN5O2S — CID 53084389

IUPACN-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C18H18ClN5O2S/c1-26-15-5-4-12(19)11-14(15)21-17(25)23-7-9-24(10-8-23)18-22-13-3-2-6-20-16(13)27-18/h2-6,11H,7-10H2,1H3,(H,21,25)
InChIKeyVWCJFSCXFVVKNK-UHFFFAOYSA-N
MW403.90 g/mol
LogP3.71
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide (PubChem CID 53084389) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
PubChem CID53084389
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C18H18ClN5O2S/c1-26-15-5-4-12(19)11-14(15)21-17(25)23-7-9-24(10-8-23)18-22-13-3-2-6-20-16(13)27-18/h2-6,11H,7-10H2,1H3,(H,21,25)
InChIKeyVWCJFSCXFVVKNK-UHFFFAOYSA-N
XLogP3.71
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
CID 53111718
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
CID 53084424
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-(5-chloro-2-methoxyphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 121191199
(4-cyclopentyloxy-3-methoxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535689
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
ethyl 2-[4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]phenyl]acetate
CID 53084404
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 99747517

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide (CID 53084389) is N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The InChIKey is VWCJFSCXFVVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-26-15-5-4-12(19)11-14(15)21-17(25)23-7-9-24(10-8-23)18-22-13-3-2-6-20-16(13)27-18/h2-6,11H,7-10H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide has a molecular weight of 403.90 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53084389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).