(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C19H21ClN4O3S2 — CID 89095108

IUPAC(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCOc1cccn2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)s3)nc12
InChIInChI=1S/C19H21ClN4O3S2/c1-18(2)17(21)23-19(3,10-29(18,25)26)15-11(20)8-14(28-15)12-9-24-7-5-6-13(27-4)16(24)22-12/h5-9H,10H2,1-4H3,(H2,21,23)/t19-/m0/s1
InChIKeyGPLKYPDGUJLLSO-IBGZPJMESA-N
MW452.99 g/mol
LogP3.50
Rot. Bonds3

About (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 89095108) has the molecular formula C19H21ClN4O3S2 and a molecular weight of 452.99 g/mol. Its IUPAC name is (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID89095108
Molecular FormulaC19H21ClN4O3S2
Molecular Weight452.99 g/mol
Exact Mass452.07
IUPAC Name(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCOc1cccn2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)s3)nc12
InChIInChI=1S/C19H21ClN4O3S2/c1-18(2)17(21)23-19(3,10-29(18,25)26)15-11(20)8-14(28-15)12-9-24-7-5-6-13(27-4)16(24)22-12/h5-9H,10H2,1-4H3,(H2,21,23)/t19-/m0/s1
InChIKeyGPLKYPDGUJLLSO-IBGZPJMESA-N
XLogP3.50
TPSA99.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-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-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 89095108) is (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-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-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is COc1cccn2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)s3)nc12.
What is the InChIKey of (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is GPLKYPDGUJLLSO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN4O3S2/c1-18(2)17(21)23-19(3,10-29(18,25)26)15-11(20)8-14(28-15)12-9-24-7-5-6-13(27-4)16(24)22-12/h5-9H,10H2,1-4H3,(H2,21,23)/t19-/m0/s1.
What are the key properties of (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 452.99 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-chloro-5-(8-methoxyimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 89095108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).