2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C11H17N3OS — CID 61280452

IUPAC2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(C)(N)C2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-7-13-5-9(16-7)6-14-10(15)11(2,12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyNQCRMFNPEVPQFG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 61280452) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID61280452
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(C)(N)C2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-7-13-5-9(16-7)6-14-10(15)11(2,12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyNQCRMFNPEVPQFG-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 61280452) is 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)C(C)(N)C2CC2)s1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is NQCRMFNPEVPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-13-5-9(16-7)6-14-10(15)11(2,12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 61280452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).