5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine

C12H23N5S — CID 65270235

IUPAC5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESNCCCCCN1CCCN(c2ncns2)CC1
InChIInChI=1S/C12H23N5S/c13-5-2-1-3-6-16-7-4-8-17(10-9-16)12-14-11-15-18-12/h11H,1-10,13H2
InChIKeyWJCBKORJRPCMPT-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.18
Rot. Bonds6

About 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine

5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 65270235) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID65270235
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESNCCCCCN1CCCN(c2ncns2)CC1
InChIInChI=1S/C12H23N5S/c13-5-2-1-3-6-16-7-4-8-17(10-9-16)12-14-11-15-18-12/h11H,1-10,13H2
InChIKeyWJCBKORJRPCMPT-UHFFFAOYSA-N
XLogP1.18
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
CID 65270551
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
5-[4-(5-iodopyrimidin-2-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 116648245
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 115993891
3-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-1H-pyrazin-2-one
CID 114570626
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 106503661
5-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-amine
CID 55079861
4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 60871033
4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
CID 60871032
5-[4-(3-bromo-4-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 104776541

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine (CID 65270235) is 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine is NCCCCCN1CCCN(c2ncns2)CC1.
What is the InChIKey of 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is WJCBKORJRPCMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c13-5-2-1-3-6-16-7-4-8-17(10-9-16)12-14-11-15-18-12/h11H,1-10,13H2.
What are the key properties of 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine?
5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 269.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 65270235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).