1,4-diazepan-1-yl(thiadiazol-4-yl)methanone

C8H12N4OS — CID 65214276

IUPAC1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCNCC1
InChIInChI=1S/C8H12N4OS/c13-8(7-6-14-11-10-7)12-4-1-2-9-3-5-12/h6,9H,1-5H2
InChIKeyDIKBDUWSIGMQSD-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.03
Rot. Bonds1

About 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone

1,4-diazepan-1-yl(thiadiazol-4-yl)methanone (PubChem CID 65214276) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
PubChem CID65214276
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCNCC1
InChIInChI=1S/C8H12N4OS/c13-8(7-6-14-11-10-7)12-4-1-2-9-3-5-12/h6,9H,1-5H2
InChIKeyDIKBDUWSIGMQSD-UHFFFAOYSA-N
XLogP-0.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone
CID 131690381
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
[2-(dimethylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515115
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone (CID 65214276) is 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone?
The InChIKey is DIKBDUWSIGMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-8(7-6-14-11-10-7)12-4-1-2-9-3-5-12/h6,9H,1-5H2.
What are the key properties of 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone?
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone has a molecular weight of 212.28 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(thiadiazol-4-yl)methanone is sourced from PubChem (CID 65214276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).