N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide

C11H17N3OS — CID 64542073

IUPACN-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1nc(C)c(CNCC(=O)NC2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-7-10(16-8(2)13-7)5-12-6-11(15)14-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyIORWEBNEFOFRNM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.13
Rot. Bonds5

About N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide

N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 64542073) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID64542073
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1nc(C)c(CNCC(=O)NC2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-7-10(16-8(2)13-7)5-12-6-11(15)14-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyIORWEBNEFOFRNM-UHFFFAOYSA-N
XLogP1.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 64542073) is N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide is Cc1nc(C)c(CNCC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is IORWEBNEFOFRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-10(16-8(2)13-7)5-12-6-11(15)14-9-3-4-9/h9,12H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 64542073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).