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

C10H17N3OS — CID 63822334

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(10(11)14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5H2,1-3H3,(H2,11,14)
InChIKeyWMVXHBALFHBVPD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.15
Rot. Bonds5

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

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide (PubChem CID 63822334) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide
PubChem CID63822334
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(10(11)14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5H2,1-3H3,(H2,11,14)
InChIKeyWMVXHBALFHBVPD-UHFFFAOYSA-N
XLogP1.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide (CID 63822334) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide is CCC(C(N)=O)N(C)Cc1scnc1C.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide?
The InChIKey is WMVXHBALFHBVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8(10(11)14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide?
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide is sourced from PubChem (CID 63822334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).