3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

C11H18N4S — CID 71924245

IUPAC3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
SMILESCN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H18N4S/c1-14-5-2-6-15(8-7-14)11-12-10(13-16-11)9-3-4-9/h9H,2-8H2,1H3
InChIKeyFXWXBGYFXJDUNW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.56
Rot. Bonds2

About 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole (PubChem CID 71924245) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
PubChem CID71924245
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
SMILESCN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H18N4S/c1-14-5-2-6-15(8-7-14)11-12-10(13-16-11)9-3-4-9/h9H,2-8H2,1H3
InChIKeyFXWXBGYFXJDUNW-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Cyclopropyl-5-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 71861526
5-(Azepan-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 71925345
5-(Azepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 71866359
3-ethyl-5-[(2S)-2-ethyl-4-methyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 164632064
3-[[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 75441859
5-[4-(2,2-Difluoroethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133328605
3-Ethyl-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133328717
5-[4-(2,2-Difluoroethyl)-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133328731
N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71870015
N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 58970596
3-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65268079
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
CID 65268135

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole (CID 71924245) is 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole is CN1CCCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The InChIKey is FXWXBGYFXJDUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14-5-2-6-15(8-7-14)11-12-10(13-16-11)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71924245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).