4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide

C11H17N3O2S — CID 103155653

IUPAC4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3O2S/c1-16-8(5-12)4-10(15)14-11-13-9(6-17-11)7-2-3-7/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyPYJPKOCHEFGALX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.32
Rot. Bonds6

About 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide

4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide (PubChem CID 103155653) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
PubChem CID103155653
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3O2S/c1-16-8(5-12)4-10(15)14-11-13-9(6-17-11)7-2-3-7/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyPYJPKOCHEFGALX-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide;hydrochloride
CID 120589106
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide (CID 103155653) is 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide?
The InChIKey is PYJPKOCHEFGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-8(5-12)4-10(15)14-11-13-9(6-17-11)7-2-3-7/h6-8H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide?
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide has a molecular weight of 255.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide is sourced from PubChem (CID 103155653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).