3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile

C12H18N4S — CID 103382474

IUPAC3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NC1CCCCCCC1
InChIInChI=1S/C12H18N4S/c13-8-10-11(14)16-17-12(10)15-9-6-4-2-1-3-5-7-9/h9,15H,1-7H2,(H2,14,16)
InChIKeyBOZWMLIDPOBWMX-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.12
Rot. Bonds2

About 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 103382474) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile
PubChem CID103382474
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NC1CCCCCCC1
InChIInChI=1S/C12H18N4S/c13-8-10-11(14)16-17-12(10)15-9-6-4-2-1-3-5-7-9/h9,15H,1-7H2,(H2,14,16)
InChIKeyBOZWMLIDPOBWMX-UHFFFAOYSA-N
XLogP3.12
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile (CID 103382474) is 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NC1CCCCCCC1.
What is the InChIKey of 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is BOZWMLIDPOBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c13-8-10-11(14)16-17-12(10)15-9-6-4-2-1-3-5-7-9/h9,15H,1-7H2,(H2,14,16).
What are the key properties of 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 250.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103382474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).