N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide

C16H15N3O2S2 — CID 2727534

IUPACN-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-18-14(20)10-22-16-19-13-3-2-8-17-15(13)23-16/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyDYZBVHSZWXIDDQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide

N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 2727534) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID2727534
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-18-14(20)10-22-16-19-13-3-2-8-17-15(13)23-16/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyDYZBVHSZWXIDDQ-UHFFFAOYSA-N
XLogP3.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591
2-(4-Methoxyphenyl)-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)acetamide
CID 3545119
1-[[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 44481854
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]acetamide
CID 134434352
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 1017224
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
CID 14938757
N-[1-(4-methoxyphenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49790053
N-[1-(4-methoxyphenyl)-1-(4-quinolin-8-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49792639
N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
CID 118714183
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 57448305
US10150728, Example I-221
CID 122497492
4-Butoxy-N-(3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5167171

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide (CID 2727534) is N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide is COc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is DYZBVHSZWXIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-18-14(20)10-22-16-19-13-3-2-8-17-15(13)23-16/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2727534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).