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

C13H23N3OS — CID 54958630

IUPAC4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)NCCCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-8-18-13(15-11)16-12(17)6-5-7-14-10(3)4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIOFLTXUFVNHTOT-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.98
Rot. Bonds7

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

4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 54958630) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID54958630
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)NCCCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-8-18-13(15-11)16-12(17)6-5-7-14-10(3)4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIOFLTXUFVNHTOT-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
CID 114912385
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 54958630) is 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is CC(C)NCCCC(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is IOFLTXUFVNHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)11-8-18-13(15-11)16-12(17)6-5-7-14-10(3)4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 269.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 54958630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).