2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide

C7H11N3OS — CID 130709348

IUPAC2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)NC)cs1
InChIInChI=1S/C7H11N3OS/c1-3-9-7-10-5(4-12-7)6(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyHYPFYHUKVRALDE-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.93
Rot. Bonds3

About 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide

2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 130709348) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID130709348
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)NC)cs1
InChIInChI=1S/C7H11N3OS/c1-3-9-7-10-5(4-12-7)6(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyHYPFYHUKVRALDE-UHFFFAOYSA-N
XLogP0.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide (CID 130709348) is 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide is CCNc1nc(C(=O)NC)cs1.
What is the InChIKey of 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HYPFYHUKVRALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-9-7-10-5(4-12-7)6(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10).
What are the key properties of 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide?
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130709348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).