7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide

C12H21N3OS — CID 55012408

IUPAC7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide
SMILESCN(Cc1cscn1)C(=O)CCCCCCN
InChIInChI=1S/C12H21N3OS/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3
InChIKeyCZYMAGLLISEEJK-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.01
Rot. Bonds8

About 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide

7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide (PubChem CID 55012408) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide
PubChem CID55012408
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide
SMILESCN(Cc1cscn1)C(=O)CCCCCCN
InChIInChI=1S/C12H21N3OS/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3
InChIKeyCZYMAGLLISEEJK-UHFFFAOYSA-N
XLogP2.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide (CID 55012408) is 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide is CN(Cc1cscn1)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide?
The InChIKey is CZYMAGLLISEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide?
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide has a molecular weight of 255.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide is sourced from PubChem (CID 55012408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).