2-amino-3H-1,3-thiazole-2-carboxamide

C4H7N3OS — CID 22079902

IUPAC2-amino-3H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1(N)NC=CS1
InChIInChI=1S/C4H7N3OS/c5-3(8)4(6)7-1-2-9-4/h1-2,7H,6H2,(H2,5,8)
InChIKeyJMYFXIRJZQIXNC-UHFFFAOYSA-N
MW145.19 g/mol
LogP-1.11
Rot. Bonds1

About 2-amino-3H-1,3-thiazole-2-carboxamide

2-amino-3H-1,3-thiazole-2-carboxamide (PubChem CID 22079902) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-amino-3H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name2-amino-3H-1,3-thiazole-2-carboxamide
PubChem CID22079902
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-amino-3H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1(N)NC=CS1
InChIInChI=1S/C4H7N3OS/c5-3(8)4(6)7-1-2-9-4/h1-2,7H,6H2,(H2,5,8)
InChIKeyJMYFXIRJZQIXNC-UHFFFAOYSA-N
XLogP-1.11
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-1,3-thiazole-2-carboxamide?
The IUPAC name of 2-amino-3H-1,3-thiazole-2-carboxamide (CID 22079902) is 2-amino-3H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 2-amino-3H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 2-amino-3H-1,3-thiazole-2-carboxamide is NC(=O)C1(N)NC=CS1.
What is the InChIKey of 2-amino-3H-1,3-thiazole-2-carboxamide?
The InChIKey is JMYFXIRJZQIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-3(8)4(6)7-1-2-9-4/h1-2,7H,6H2,(H2,5,8).
What are the key properties of 2-amino-3H-1,3-thiazole-2-carboxamide?
2-amino-3H-1,3-thiazole-2-carboxamide has a molecular weight of 145.19 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22079902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).