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

C11H17N3OS — CID 79805640

IUPAC2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-3-11(2,12)9(15)14-10-13-8(6-16-10)7-4-5-7/h6-7H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIULJYDLCXIWHOU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds4

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

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide (PubChem CID 79805640) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
PubChem CID79805640
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-3-11(2,12)9(15)14-10-13-8(6-16-10)7-4-5-7/h6-7H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIULJYDLCXIWHOU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
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-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
CID 54959133
1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 94237843
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375056

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide (CID 79805640) is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide?
The InChIKey is IULJYDLCXIWHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-11(2,12)9(15)14-10-13-8(6-16-10)7-4-5-7/h6-7H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide?
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide has a molecular weight of 239.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 79805640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).