N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide

C10H17N3OS — CID 813223

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
SMILESCc1nc(NC(=O)CNC(C)C)sc1C
InChIInChI=1S/C10H17N3OS/c1-6(2)11-5-9(14)13-10-12-7(3)8(4)15-10/h6,11H,5H2,1-4H3,(H,12,13,14)
InChIKeyBFEQCCNPGUPKQB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.70
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 813223) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
PubChem CID813223
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
SMILESCc1nc(NC(=O)CNC(C)C)sc1C
InChIInChI=1S/C10H17N3OS/c1-6(2)11-5-9(14)13-10-12-7(3)8(4)15-10/h6,11H,5H2,1-4H3,(H,12,13,14)
InChIKeyBFEQCCNPGUPKQB-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110680192
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 7412309
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 42768385
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43470560
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 97067116

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide (CID 813223) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide is Cc1nc(NC(=O)CNC(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is BFEQCCNPGUPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)11-5-9(14)13-10-12-7(3)8(4)15-10/h6,11H,5H2,1-4H3,(H,12,13,14).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 227.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 813223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).