(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone

C19H23N3O2S — CID 49074984

IUPAC(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccccc1-c1nc(C(=O)N2CCCN(C3CC3)CC2)cs1
InChIInChI=1S/C19H23N3O2S/c1-24-17-6-3-2-5-15(17)18-20-16(13-25-18)19(23)22-10-4-9-21(11-12-22)14-7-8-14/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLKIFVWODEDYTAZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.13
Rot. Bonds4

About (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone

(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 49074984) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID49074984
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccccc1-c1nc(C(=O)N2CCCN(C3CC3)CC2)cs1
InChIInChI=1S/C19H23N3O2S/c1-24-17-6-3-2-5-15(17)18-20-16(13-25-18)19(23)22-10-4-9-21(11-12-22)14-7-8-14/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLKIFVWODEDYTAZ-UHFFFAOYSA-N
XLogP3.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
1-[(3S)-4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 166411179
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
(2S,3aS,7aR)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125153216
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 51100111
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761
(4-benzyl-1,4-diazepan-1-yl)-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 18157558

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 49074984) is (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1ccccc1-c1nc(C(=O)N2CCCN(C3CC3)CC2)cs1.
What is the InChIKey of (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is LKIFVWODEDYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-24-17-6-3-2-5-15(17)18-20-16(13-25-18)19(23)22-10-4-9-21(11-12-22)14-7-8-14/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 357.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 49074984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).