5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one

C14H23N3OS — CID 110201408

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one
SMILESCc1ncsc1CN1CCCCCCNC(=O)CC1
InChIInChI=1S/C14H23N3OS/c1-12-13(19-11-16-12)10-17-8-5-3-2-4-7-15-14(18)6-9-17/h11H,2-10H2,1H3,(H,15,18)
InChIKeyNADLESLBOULBNO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.33
Rot. Bonds2

About 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one

5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201408) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one
PubChem CID110201408
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one
SMILESCc1ncsc1CN1CCCCCCNC(=O)CC1
InChIInChI=1S/C14H23N3OS/c1-12-13(19-11-16-12)10-17-8-5-3-2-4-7-15-14(18)6-9-17/h11H,2-10H2,1H3,(H,15,18)
InChIKeyNADLESLBOULBNO-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one (CID 110201408) is 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one is Cc1ncsc1CN1CCCCCCNC(=O)CC1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one?
The InChIKey is NADLESLBOULBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-12-13(19-11-16-12)10-17-8-5-3-2-4-7-15-14(18)6-9-17/h11H,2-10H2,1H3,(H,15,18).
What are the key properties of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one?
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one has a molecular weight of 281.42 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).