N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C10H17N3O2S — CID 110886573

IUPACN-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(C)nsc1NC
InChIInChI=1S/C10H17N3O2S/c1-4-13(5-6-14)10(15)8-7(2)12-16-9(8)11-3/h11,14H,4-6H2,1-3H3
InChIKeyMHGKHAYKIYWTTF-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.95
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 110886573) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID110886573
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(C)nsc1NC
InChIInChI=1S/C10H17N3O2S/c1-4-13(5-6-14)10(15)8-7(2)12-16-9(8)11-3/h11,14H,4-6H2,1-3H3
InChIKeyMHGKHAYKIYWTTF-UHFFFAOYSA-N
XLogP0.95
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 110886573) is N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CCN(CCO)C(=O)c1c(C)nsc1NC.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is MHGKHAYKIYWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-13(5-6-14)10(15)8-7(2)12-16-9(8)11-3/h11,14H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 110886573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).