N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

C15H26N4O3S2 — CID 91841554

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H26N4O3S2/c1-15(2,3)12-11-23-14(16-12)17-13(20)10-18-6-5-7-19(9-8-18)24(4,21)22/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeyDMHLUKPQXYLOQA-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.35
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 91841554) has the molecular formula C15H26N4O3S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID91841554
Molecular FormulaC15H26N4O3S2
Molecular Weight374.53 g/mol
Exact Mass374.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H26N4O3S2/c1-15(2,3)12-11-23-14(16-12)17-13(20)10-18-6-5-7-19(9-8-18)24(4,21)22/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeyDMHLUKPQXYLOQA-UHFFFAOYSA-N
XLogP1.35
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide 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 N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 91841554) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is CC(C)(C)c1csc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is DMHLUKPQXYLOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S2/c1-15(2,3)12-11-23-14(16-12)17-13(20)10-18-6-5-7-19(9-8-18)24(4,21)22/h11H,5-10H2,1-4H3,(H,16,17,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 91841554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).