cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C13H19N3OS — CID 165434688

IUPACcyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1cnc(N2CCCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C13H19N3OS/c1-10-9-14-13(18-10)16-6-2-5-15(7-8-16)12(17)11-3-4-11/h9,11H,2-8H2,1H3
InChIKeyGAWDDMSRNQDLPP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.90
Rot. Bonds2

About cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 165434688) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID165434688
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Namecyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1cnc(N2CCCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C13H19N3OS/c1-10-9-14-13(18-10)16-6-2-5-15(7-8-16)12(17)11-3-4-11/h9,11H,2-8H2,1H3
InChIKeyGAWDDMSRNQDLPP-UHFFFAOYSA-N
XLogP1.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498907
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
CID 171701816
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499161
[4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499216
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 165434688) is cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1cnc(N2CCCN(C(=O)C3CC3)CC2)s1.
What is the InChIKey of cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is GAWDDMSRNQDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-9-14-13(18-10)16-6-2-5-15(7-8-16)12(17)11-3-4-11/h9,11H,2-8H2,1H3.
What are the key properties of cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 265.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 165434688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).