[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone

C18H25N5OS — CID 133499161

IUPAC[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCN(c2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C18H25N5OS/c24-16(14-6-7-14)21-8-3-9-22(11-10-21)18-20-23-12-15(19-17(23)25-18)13-4-1-2-5-13/h12-14H,1-11H2
InChIKeyBNHAKADZXHLJQI-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.90
Rot. Bonds3

About [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone

[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone (PubChem CID 133499161) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
PubChem CID133499161
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCN(c2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C18H25N5OS/c24-16(14-6-7-14)21-8-3-9-22(11-10-21)18-20-23-12-15(19-17(23)25-18)13-4-1-2-5-13/h12-14H,1-11H2
InChIKeyBNHAKADZXHLJQI-UHFFFAOYSA-N
XLogP2.90
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133498547
[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol
CID 99856781
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
6-cyclohexyl-2-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
CID 155472627
2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
CID 163872627
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165434688
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
(4-methyl-1,4-diazepan-1-yl)-[1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone
CID 135186598
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
cyclopropyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133499169

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone (CID 133499161) is [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCCN(c2nn3cc(C4CCCC4)nc3s2)CC1.
What is the InChIKey of [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The InChIKey is BNHAKADZXHLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-16(14-6-7-14)21-8-3-9-22(11-10-21)18-20-23-12-15(19-17(23)25-18)13-4-1-2-5-13/h12-14H,1-11H2.
What are the key properties of [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone has a molecular weight of 359.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 133499161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).