2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide

C11H19N3OS — CID 63296167

IUPAC2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H19N3OS/c1-3-12-10(15)7(2)14-11-13-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySVMUVVXMPIPCPR-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.98
Rot. Bonds4

About 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide

2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide (PubChem CID 63296167) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide
PubChem CID63296167
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H19N3OS/c1-3-12-10(15)7(2)14-11-13-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySVMUVVXMPIPCPR-UHFFFAOYSA-N
XLogP0.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide (CID 63296167) is 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)NC1=NCC(C2CC2)S1.
What is the InChIKey of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide?
The InChIKey is SVMUVVXMPIPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-12-10(15)7(2)14-11-13-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide?
2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 63296167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).