N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide

C17H19N3O2S — CID 72877231

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)C1CCOc2ccccc2C1
InChIInChI=1S/C17H19N3O2S/c21-16(18-10-14-11-20-6-8-23-17(20)19-14)13-5-7-22-15-4-2-1-3-12(15)9-13/h1-4,11,13H,5-10H2,(H,18,21)
InChIKeyHNIACBOGMVFKRB-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide (PubChem CID 72877231) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
PubChem CID72877231
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)C1CCOc2ccccc2C1
InChIInChI=1S/C17H19N3O2S/c21-16(18-10-14-11-20-6-8-23-17(20)19-14)13-5-7-22-15-4-2-1-3-12(15)9-13/h1-4,11,13H,5-10H2,(H,18,21)
InChIKeyHNIACBOGMVFKRB-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
(4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97277177
(4S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97434258
(4S)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97269470
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72894266
(4S)-N-[2-[(2-chlorobenzoyl)amino]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97276904
(3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279784
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004
(4S)-N-[2-(furan-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272787
N-[3-(benzotriazol-1-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72865183
(4S)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 136696860
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide (CID 72877231) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide is O=C(NCc1cn2c(n1)SCC2)C1CCOc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide?
The InChIKey is HNIACBOGMVFKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(18-10-14-11-20-6-8-23-17(20)19-14)13-5-7-22-15-4-2-1-3-12(15)9-13/h1-4,11,13H,5-10H2,(H,18,21).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 72877231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).