octanedioic acid;bis(1,3-thiazol-2-amine)

C14H22N4O4S2 — CID 139147698

IUPACoctanedioic acid;bis(1,3-thiazol-2-amine)
SMILESNc1nccs1.Nc1nccs1.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/C8H14O4.2C3H4N2S/c9-7(10)5-3-1-2-4-6-8(11)12;2*4-3-5-1-2-6-3/h1-6H2,(H,9,10)(H,11,12);2*1-2H,(H2,4,5)
InChIKeyUACJNLHOMGMCGC-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.95
Rot. Bonds7

About octanedioic acid;bis(1,3-thiazol-2-amine)

octanedioic acid;bis(1,3-thiazol-2-amine) (PubChem CID 139147698) has the molecular formula C14H22N4O4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is octanedioic acid;bis(1,3-thiazol-2-amine).

Molecular Properties

Compound Nameoctanedioic acid;bis(1,3-thiazol-2-amine)
PubChem CID139147698
Molecular FormulaC14H22N4O4S2
Molecular Weight374.49 g/mol
Exact Mass374.11
IUPAC Nameoctanedioic acid;bis(1,3-thiazol-2-amine)
SMILESNc1nccs1.Nc1nccs1.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/C8H14O4.2C3H4N2S/c9-7(10)5-3-1-2-4-6-8(11)12;2*4-3-5-1-2-6-3/h1-6H2,(H,9,10)(H,11,12);2*1-2H,(H2,4,5)
InChIKeyUACJNLHOMGMCGC-UHFFFAOYSA-N
XLogP2.95
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3-thiazol-2-amine;urea
CID 87216573
(213C)1,3-thiazol-2-amine
CID 87204445
CID 161031196
CID 161031196
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
bis(nonanoic acid);pyrimidin-2-amine
CID 139195998
8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole
CID 87483734
6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
CID 117098014
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of octanedioic acid;bis(1,3-thiazol-2-amine)?
The IUPAC name of octanedioic acid;bis(1,3-thiazol-2-amine) (CID 139147698) is octanedioic acid;bis(1,3-thiazol-2-amine).
What is the SMILES notation for octanedioic acid;bis(1,3-thiazol-2-amine)?
The canonical SMILES for octanedioic acid;bis(1,3-thiazol-2-amine) is Nc1nccs1.Nc1nccs1.O=C(O)CCCCCCC(=O)O.
What is the InChIKey of octanedioic acid;bis(1,3-thiazol-2-amine)?
The InChIKey is UACJNLHOMGMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.2C3H4N2S/c9-7(10)5-3-1-2-4-6-8(11)12;2*4-3-5-1-2-6-3/h1-6H2,(H,9,10)(H,11,12);2*1-2H,(H2,4,5).
What are the key properties of octanedioic acid;bis(1,3-thiazol-2-amine)?
octanedioic acid;bis(1,3-thiazol-2-amine) has a molecular weight of 374.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octanedioic acid;bis(1,3-thiazol-2-amine) is sourced from PubChem (CID 139147698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).