4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole

C19H25N3OS — CID 141376544

IUPAC4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
SMILESCc1csc(C2COc3cc(N4CCCN(C)CC4)ccc3C2)n1
InChIInChI=1S/C19H25N3OS/c1-14-13-24-19(20-14)16-10-15-4-5-17(11-18(15)23-12-16)22-7-3-6-21(2)8-9-22/h4-5,11,13,16H,3,6-10,12H2,1-2H3
InChIKeyFFTFIEXAHCMXEI-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.31
Rot. Bonds2

About 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole

4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole (PubChem CID 141376544) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
PubChem CID141376544
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
SMILESCc1csc(C2COc3cc(N4CCCN(C)CC4)ccc3C2)n1
InChIInChI=1S/C19H25N3OS/c1-14-13-24-19(20-14)16-10-15-4-5-17(11-18(15)23-12-16)22-7-3-6-21(2)8-9-22/h4-5,11,13,16H,3,6-10,12H2,1-2H3
InChIKeyFFTFIEXAHCMXEI-UHFFFAOYSA-N
XLogP3.31
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole 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 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole (CID 141376544) is 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole is Cc1csc(C2COc3cc(N4CCCN(C)CC4)ccc3C2)n1.
What is the InChIKey of 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole?
The InChIKey is FFTFIEXAHCMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-13-24-19(20-14)16-10-15-4-5-17(11-18(15)23-12-16)22-7-3-6-21(2)8-9-22/h4-5,11,13,16H,3,6-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole?
4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole is sourced from PubChem (CID 141376544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).