(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C18H19ClN4O2S2 — CID 90137918

IUPAC(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C18H19ClN4O2S2/c1-17(2)16(20)22-18(3,10-27(17,24)25)15-11(19)8-13(26-15)12-9-23-7-5-4-6-14(23)21-12/h4-9H,10H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyCOQYFLFEGKOZTG-SFHVURJKSA-N
MW422.96 g/mol
LogP3.50
Rot. Bonds2

About (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 90137918) has the molecular formula C18H19ClN4O2S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID90137918
Molecular FormulaC18H19ClN4O2S2
Molecular Weight422.96 g/mol
Exact Mass422.06
IUPAC Name(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C18H19ClN4O2S2/c1-17(2)16(20)22-18(3,10-27(17,24)25)15-11(19)8-13(26-15)12-9-23-7-5-4-6-14(23)21-12/h4-9H,10H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyCOQYFLFEGKOZTG-SFHVURJKSA-N
XLogP3.50
TPSA89.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 90137918) is (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2sc(-c3cn4ccccc4n3)cc2Cl)CS1(=O)=O.
What is the InChIKey of (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is COQYFLFEGKOZTG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19ClN4O2S2/c1-17(2)16(20)22-18(3,10-27(17,24)25)15-11(19)8-13(26-15)12-9-23-7-5-4-6-14(23)21-12/h4-9H,10H2,1-3H3,(H2,20,22)/t18-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 422.96 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 90137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).