N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide

C12H19N3OS — CID 113248241

IUPACN-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1nc(C(C)NC(C)C(=O)NC2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-7(11-6-17-9(3)14-11)13-8(2)12(16)15-10-4-5-10/h6-8,10,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyXXNFFEDEOONAQL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.77
Rot. Bonds5

About N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide

N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide (PubChem CID 113248241) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
PubChem CID113248241
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1nc(C(C)NC(C)C(=O)NC2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-7(11-6-17-9(3)14-11)13-8(2)12(16)15-10-4-5-10/h6-8,10,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyXXNFFEDEOONAQL-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61192769
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
CID 43670089
N-cyclopropyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 113251345
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103782650
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91249306
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
N-cyclopropyl-2-[1-(2,4,6-trimethylphenyl)ethylamino]propanamide
CID 115672861
N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61067652
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide (CID 113248241) is N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide is Cc1nc(C(C)NC(C)C(=O)NC2CC2)cs1.
What is the InChIKey of N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The InChIKey is XXNFFEDEOONAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7(11-6-17-9(3)14-11)13-8(2)12(16)15-10-4-5-10/h6-8,10,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide has a molecular weight of 253.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 113248241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).