4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide

C10H17N3OS — CID 61482708

IUPAC4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)8-6-15-10(12-8)13-9(14)4-3-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyMIEMSDIHWHJUBW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.94
Rot. Bonds5

About 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide

4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 61482708) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID61482708
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)8-6-15-10(12-8)13-9(14)4-3-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyMIEMSDIHWHJUBW-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
CID 11609548
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 61482708) is 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is CC(C)c1csc(NC(=O)CCCN)n1.
What is the InChIKey of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MIEMSDIHWHJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)8-6-15-10(12-8)13-9(14)4-3-5-11/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 61482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).