4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide

C15H20N6OS — CID 71992611

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
SMILESCCc1nsc(N2CCCN(C(=O)Nc3cccnc3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-2-13-18-15(23-19-13)21-8-4-7-20(9-10-21)14(22)17-12-5-3-6-16-11-12/h3,5-6,11H,2,4,7-10H2,1H3,(H,17,22)
InChIKeyXOVSWHCNVLZDKP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.24
Rot. Bonds3

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide (PubChem CID 71992611) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
PubChem CID71992611
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
SMILESCCc1nsc(N2CCCN(C(=O)Nc3cccnc3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-2-13-18-15(23-19-13)21-8-4-7-20(9-10-21)14(22)17-12-5-3-6-16-11-12/h3,5-6,11H,2,4,7-10H2,1H3,(H,17,22)
InChIKeyXOVSWHCNVLZDKP-UHFFFAOYSA-N
XLogP2.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 136528915
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 5225773
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide
CID 811303
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 136528933
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3891439
N-(4-bromophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide
CID 4590990
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 126779312
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119899756
N-(3-chloro-4-methylphenyl)-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide
CID 3927519

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide (CID 71992611) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide is CCc1nsc(N2CCCN(C(=O)Nc3cccnc3)CC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide?
The InChIKey is XOVSWHCNVLZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-2-13-18-15(23-19-13)21-8-4-7-20(9-10-21)14(22)17-12-5-3-6-16-11-12/h3,5-6,11H,2,4,7-10H2,1H3,(H,17,22).
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).