4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide

C12H21N3OS — CID 119339125

IUPAC4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
SMILESCc1nc(CC(C)C)c(NC(=O)CCCN)s1
InChIInChI=1S/C12H21N3OS/c1-8(2)7-10-12(17-9(3)14-10)15-11(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyQAMMBTKAUFIUKZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.33
Rot. Bonds6

About 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide

4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide (PubChem CID 119339125) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
PubChem CID119339125
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
SMILESCc1nc(CC(C)C)c(NC(=O)CCCN)s1
InChIInChI=1S/C12H21N3OS/c1-8(2)7-10-12(17-9(3)14-10)15-11(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyQAMMBTKAUFIUKZ-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide (CID 119339125) is 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide is Cc1nc(CC(C)C)c(NC(=O)CCCN)s1.
What is the InChIKey of 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The InChIKey is QAMMBTKAUFIUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)7-10-12(17-9(3)14-10)15-11(16)5-4-6-13/h8H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide is sourced from PubChem (CID 119339125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).