N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 170195003

IUPACN-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide
SMILESCCC1SC=C(C(=O)NC2CC2)N1C
InChIInChI=1S/C10H16N2OS/c1-3-9-12(2)8(6-14-9)10(13)11-7-4-5-7/h6-7,9H,3-5H2,1-2H3,(H,11,13)
InChIKeyHVBFUKJDQLNCSA-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.52
Rot. Bonds3

About N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide (PubChem CID 170195003) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide
PubChem CID170195003
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide
SMILESCCC1SC=C(C(=O)NC2CC2)N1C
InChIInChI=1S/C10H16N2OS/c1-3-9-12(2)8(6-14-9)10(13)11-7-4-5-7/h6-7,9H,3-5H2,1-2H3,(H,11,13)
InChIKeyHVBFUKJDQLNCSA-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide (CID 170195003) is N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide is CCC1SC=C(C(=O)NC2CC2)N1C.
What is the InChIKey of N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide?
The InChIKey is HVBFUKJDQLNCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-9-12(2)8(6-14-9)10(13)11-7-4-5-7/h6-7,9H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-3-methyl-2H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170195003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).