N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H25N3O3S — CID 103839631

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H25N3O3S/c1-11-8-21-13(19)17(11)7-5-6-12(18)15-9-14(2,20)10-16(3)4/h8,20H,5-7,9-10H2,1-4H3,(H,15,18)
InChIKeyIPEMXODQWVCRET-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.43
Rot. Bonds8

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103839631) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103839631
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H25N3O3S/c1-11-8-21-13(19)17(11)7-5-6-12(18)15-9-14(2,20)10-16(3)4/h8,20H,5-7,9-10H2,1-4H3,(H,15,18)
InChIKeyIPEMXODQWVCRET-UHFFFAOYSA-N
XLogP0.43
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103839631) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is IPEMXODQWVCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-8-21-13(19)17(11)7-5-6-12(18)15-9-14(2,20)10-16(3)4/h8,20H,5-7,9-10H2,1-4H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 315.44 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103839631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).