2-amino-2H-1,4-thiazine-3-carboxamide

C5H7N3OS — CID 174457337

IUPAC2-amino-2H-1,4-thiazine-3-carboxamide
SMILESNC(=O)C1=NC=CSC1N
InChIInChI=1S/C5H7N3OS/c6-4(9)3-5(7)10-2-1-8-3/h1-2,5H,7H2,(H2,6,9)
InChIKeyGMXPWBKBRJHKFV-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.58
Rot. Bonds1

About 2-amino-2H-1,4-thiazine-3-carboxamide

2-amino-2H-1,4-thiazine-3-carboxamide (PubChem CID 174457337) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-amino-2H-1,4-thiazine-3-carboxamide.

Molecular Properties

Compound Name2-amino-2H-1,4-thiazine-3-carboxamide
PubChem CID174457337
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name2-amino-2H-1,4-thiazine-3-carboxamide
SMILESNC(=O)C1=NC=CSC1N
InChIInChI=1S/C5H7N3OS/c6-4(9)3-5(7)10-2-1-8-3/h1-2,5H,7H2,(H2,6,9)
InChIKeyGMXPWBKBRJHKFV-UHFFFAOYSA-N
XLogP-0.58
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-1,4-thiazine-3-carboxamide?
The IUPAC name of 2-amino-2H-1,4-thiazine-3-carboxamide (CID 174457337) is 2-amino-2H-1,4-thiazine-3-carboxamide.
What is the SMILES notation for 2-amino-2H-1,4-thiazine-3-carboxamide?
The canonical SMILES for 2-amino-2H-1,4-thiazine-3-carboxamide is NC(=O)C1=NC=CSC1N.
What is the InChIKey of 2-amino-2H-1,4-thiazine-3-carboxamide?
The InChIKey is GMXPWBKBRJHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-4(9)3-5(7)10-2-1-8-3/h1-2,5H,7H2,(H2,6,9).
What are the key properties of 2-amino-2H-1,4-thiazine-3-carboxamide?
2-amino-2H-1,4-thiazine-3-carboxamide has a molecular weight of 157.20 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-1,4-thiazine-3-carboxamide is sourced from PubChem (CID 174457337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).