2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide

C11H19N3OS — CID 65228895

IUPAC2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCc1nc(NC(=O)C(CC)CN)sc1C
InChIInChI=1S/C11H19N3OS/c1-4-8(6-12)10(15)14-11-13-9(5-2)7(3)16-11/h8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyANKBVDNEDMSWQO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.94
Rot. Bonds5

About 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide

2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 65228895) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID65228895
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCc1nc(NC(=O)C(CC)CN)sc1C
InChIInChI=1S/C11H19N3OS/c1-4-8(6-12)10(15)14-11-13-9(5-2)7(3)16-11/h8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyANKBVDNEDMSWQO-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide (CID 65228895) is 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide is CCc1nc(NC(=O)C(CC)CN)sc1C.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ANKBVDNEDMSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-8(6-12)10(15)14-11-13-9(5-2)7(3)16-11/h8H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide?
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 241.36 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 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 65228895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).