N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide

C13H24N4O2S — CID 43665163

IUPACN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide
SMILESCOc1nc(N(C)C)sc1CNCCNC(=O)C(C)C
InChIInChI=1S/C13H24N4O2S/c1-9(2)11(18)15-7-6-14-8-10-12(19-5)16-13(20-10)17(3)4/h9,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyIFWUWMXGKORIQH-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.08
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide

N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide (PubChem CID 43665163) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide
PubChem CID43665163
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide
SMILESCOc1nc(N(C)C)sc1CNCCNC(=O)C(C)C
InChIInChI=1S/C13H24N4O2S/c1-9(2)11(18)15-7-6-14-8-10-12(19-5)16-13(20-10)17(3)4/h9,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyIFWUWMXGKORIQH-UHFFFAOYSA-N
XLogP1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide (CID 43665163) is N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide is COc1nc(N(C)C)sc1CNCCNC(=O)C(C)C.
What is the InChIKey of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide?
The InChIKey is IFWUWMXGKORIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)11(18)15-7-6-14-8-10-12(19-5)16-13(20-10)17(3)4/h9,14H,6-8H2,1-5H3,(H,15,18).
What are the key properties of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide?
N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).