5-(methylamino)-1,3-thiazole-4-carboxamide

C5H7N3OS — CID 130454849

IUPAC5-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1scnc1C(N)=O
InChIInChI=1S/C5H7N3OS/c1-7-5-3(4(6)9)8-2-10-5/h2,7H,1H3,(H2,6,9)
InChIKeyKHYHZAVUXSEMGA-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.28
Rot. Bonds2

About 5-(methylamino)-1,3-thiazole-4-carboxamide

5-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 130454849) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 5-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID130454849
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name5-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1scnc1C(N)=O
InChIInChI=1S/C5H7N3OS/c1-7-5-3(4(6)9)8-2-10-5/h2,7H,1H3,(H2,6,9)
InChIKeyKHYHZAVUXSEMGA-UHFFFAOYSA-N
XLogP0.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(methylamino)-1,3-thiazole-4-carboxamide (CID 130454849) is 5-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(methylamino)-1,3-thiazole-4-carboxamide is CNc1scnc1C(N)=O.
What is the InChIKey of 5-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is KHYHZAVUXSEMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-7-5-3(4(6)9)8-2-10-5/h2,7H,1H3,(H2,6,9).
What are the key properties of 5-(methylamino)-1,3-thiazole-4-carboxamide?
5-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).