[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone

C13H20N4OS — CID 91945397

IUPAC[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCc1snnc1C(=O)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C13H20N4OS/c1-10-12(14-15-19-10)13(18)17-6-2-5-16(7-8-17)9-11-3-4-11/h11H,2-9H2,1H3
InChIKeyFVUXFINENXFVGU-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.40
Rot. Bonds3

About [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone

[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone (PubChem CID 91945397) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone
PubChem CID91945397
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCc1snnc1C(=O)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C13H20N4OS/c1-10-12(14-15-19-10)13(18)17-6-2-5-16(7-8-17)9-11-3-4-11/h11H,2-9H2,1H3
InChIKeyFVUXFINENXFVGU-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131679899
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
(4-ethylthiadiazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94083096
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
1,2,4-benzotriazin-3-yl-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methanone
CID 95751417
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 95751392
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
(5-methylthiadiazol-4-yl)-[(5R,7R)-7-(pyrrolidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866875
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone (CID 91945397) is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone is Cc1snnc1C(=O)N1CCCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone?
The InChIKey is FVUXFINENXFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-10-12(14-15-19-10)13(18)17-6-2-5-16(7-8-17)9-11-3-4-11/h11H,2-9H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone?
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone has a molecular weight of 280.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(5-methylthiadiazol-4-yl)methanone is sourced from PubChem (CID 91945397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).