(3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C15H17ClN4O2S2 — CID 90137857

IUPAC(3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2sc(-c3cncnc3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C15H17ClN4O2S2/c1-14(2)13(17)20-15(3,7-24(14,21)22)12-10(16)4-11(23-12)9-5-18-8-19-6-9/h4-6,8H,7H2,1-3H3,(H2,17,20)/t15-/m0/s1
InChIKeyKZLVTQQRYCUCJW-HNNXBMFYSA-N
MW384.91 g/mol
LogP2.64
Rot. Bonds2

About (3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 90137857) has the molecular formula C15H17ClN4O2S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3S)-3-(3-chloro-5-pyrimidin-5-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-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID90137857
Molecular FormulaC15H17ClN4O2S2
Molecular Weight384.91 g/mol
Exact Mass384.05
IUPAC Name(3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2sc(-c3cncnc3)cc2Cl)CS1(=O)=O
InChIInChI=1S/C15H17ClN4O2S2/c1-14(2)13(17)20-15(3,7-24(14,21)22)12-10(16)4-11(23-12)9-5-18-8-19-6-9/h4-6,8H,7H2,1-3H3,(H2,17,20)/t15-/m0/s1
InChIKeyKZLVTQQRYCUCJW-HNNXBMFYSA-N
XLogP2.64
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-5-pyrimidin-5-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-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 90137857) is (3S)-3-(3-chloro-5-pyrimidin-5-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-pyrimidin-5-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-pyrimidin-5-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(-c3cncnc3)cc2Cl)CS1(=O)=O.
What is the InChIKey of (3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is KZLVTQQRYCUCJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S2/c1-14(2)13(17)20-15(3,7-24(14,21)22)12-10(16)4-11(23-12)9-5-18-8-19-6-9/h4-6,8H,7H2,1-3H3,(H2,17,20)/t15-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3S)-3-(3-chloro-5-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 384.91 g/mol, XLogP of 2.64, 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-pyrimidin-5-ylthiophen-2-yl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 90137857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).