2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate

C16H19ClN4O4S — CID 14423126

IUPAC2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C16H19ClN4O4S/c1-11(22)25-7-6-19-2-4-20(5-3-19)14(23)10-21-13-8-12(17)9-18-15(13)26-16(21)24/h8-9H,2-7,10H2,1H3
InChIKeyYIPNYUOPCPRPIP-UHFFFAOYSA-N
MW398.87 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate

2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate (PubChem CID 14423126) has the molecular formula C16H19ClN4O4S and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
PubChem CID14423126
Molecular FormulaC16H19ClN4O4S
Molecular Weight398.87 g/mol
Exact Mass398.08
IUPAC Name2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C16H19ClN4O4S/c1-11(22)25-7-6-19-2-4-20(5-3-19)14(23)10-21-13-8-12(17)9-18-15(13)26-16(21)24/h8-9H,2-7,10H2,1H3
InChIKeyYIPNYUOPCPRPIP-UHFFFAOYSA-N
XLogP0.82
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718415
6-chloro-1-[2-[4-(6-hydroxyhexyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67719042
1-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]propan-2-yl acetate
CID 154109536
N'-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]ethanimidamide
CID 54550518
6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388888
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene
CID 19776556
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene;dihydrochloride
CID 19776582
2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
CID 3785174
N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
CID 21278887
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
CID 19776566
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate (CID 14423126) is 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.
What is the InChIKey of 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
The InChIKey is YIPNYUOPCPRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4S/c1-11(22)25-7-6-19-2-4-20(5-3-19)14(23)10-21-13-8-12(17)9-18-15(13)26-16(21)24/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate?
2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate has a molecular weight of 398.87 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 14423126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).