cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone

C15H18N4OS — CID 165435144

IUPACcyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C15H18N4OS/c20-14(11-2-3-11)18-6-1-7-19(9-8-18)15-17-12-10-16-5-4-13(12)21-15/h4-5,10-11H,1-3,6-9H2
InChIKeyJVFILZYUPYTTQE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.14
Rot. Bonds2

About cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 165435144) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID165435144
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Namecyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C15H18N4OS/c20-14(11-2-3-11)18-6-1-7-19(9-8-18)15-17-12-10-16-5-4-13(12)21-15/h4-5,10-11H,1-3,6-9H2
InChIKeyJVFILZYUPYTTQE-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165434688
[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499161
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone (CID 165435144) is cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone is O=C(C1CC1)N1CCCN(c2nc3cnccc3s2)CC1.
What is the InChIKey of cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is JVFILZYUPYTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(11-2-3-11)18-6-1-7-19(9-8-18)15-17-12-10-16-5-4-13(12)21-15/h4-5,10-11H,1-3,6-9H2.
What are the key properties of cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 165435144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).