ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide

C18H24N4O3S — CID 143927849

IUPACethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide
SMILESC=O.CC.CC.O=CNc1nc2ccc(-c3ccc(NO)cc3)nc2s1
InChIInChI=1S/C13H10N4O2S.2C2H6.CH2O/c18-7-14-13-16-11-6-5-10(15-12(11)20-13)8-1-3-9(17-19)4-2-8;3*1-2/h1-7,17,19H,(H,14,16,18);2*1-2H3;1H2
InChIKeyCKXNHUSHMKGGQA-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.60
Rot. Bonds4

About ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide

ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide (PubChem CID 143927849) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide.

Molecular Properties

Compound Nameethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide
PubChem CID143927849
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nameethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide
SMILESC=O.CC.CC.O=CNc1nc2ccc(-c3ccc(NO)cc3)nc2s1
InChIInChI=1S/C13H10N4O2S.2C2H6.CH2O/c18-7-14-13-16-11-6-5-10(15-12(11)20-13)8-1-3-9(17-19)4-2-8;3*1-2/h1-7,17,19H,(H,14,16,18);2*1-2H3;1H2
InChIKeyCKXNHUSHMKGGQA-UHFFFAOYSA-N
XLogP4.60
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide?
The IUPAC name of ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide (CID 143927849) is ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide.
What is the SMILES notation for ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide?
The canonical SMILES for ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide is C=O.CC.CC.O=CNc1nc2ccc(-c3ccc(NO)cc3)nc2s1.
What is the InChIKey of ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide?
The InChIKey is CKXNHUSHMKGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S.2C2H6.CH2O/c18-7-14-13-16-11-6-5-10(15-12(11)20-13)8-1-3-9(17-19)4-2-8;3*1-2/h1-7,17,19H,(H,14,16,18);2*1-2H3;1H2.
What are the key properties of ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide?
ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide has a molecular weight of 376.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide is sourced from PubChem (CID 143927849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).