acetylene;propane;N-(1,3-thiazol-2-yl)formamide

C9H14N2OS — CID 143752029

IUPACacetylene;propane;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.CCC.O=CNc1nccs1
InChIInChI=1S/C4H4N2OS.C3H8.C2H2/c7-3-6-4-5-1-2-8-4;1-3-2;1-2/h1-3H,(H,5,6,7);3H2,1-2H3;1-2H
InChIKeyKAENASSDXVZADF-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.38
Rot. Bonds2

About acetylene;propane;N-(1,3-thiazol-2-yl)formamide

acetylene;propane;N-(1,3-thiazol-2-yl)formamide (PubChem CID 143752029) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is acetylene;propane;N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound Nameacetylene;propane;N-(1,3-thiazol-2-yl)formamide
PubChem CID143752029
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameacetylene;propane;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.CCC.O=CNc1nccs1
InChIInChI=1S/C4H4N2OS.C3H8.C2H2/c7-3-6-4-5-1-2-8-4;1-3-2;1-2/h1-3H,(H,5,6,7);3H2,1-2H3;1-2H
InChIKeyKAENASSDXVZADF-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide
CID 142832976
2-(1,3-thiazol-2-ylamino)acetaldehyde
CID 76551851
ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate
CID 86748184
N-methylselanyl-1,3-thiazol-2-amine
CID 142317624
N-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87242270
methane;N-methyl-1,3-thiazol-2-amine
CID 157106856
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
CID 59694819
CID 59694819

Frequently Asked Questions

What is the IUPAC name of acetylene;propane;N-(1,3-thiazol-2-yl)formamide?
The IUPAC name of acetylene;propane;N-(1,3-thiazol-2-yl)formamide (CID 143752029) is acetylene;propane;N-(1,3-thiazol-2-yl)formamide.
What is the SMILES notation for acetylene;propane;N-(1,3-thiazol-2-yl)formamide?
The canonical SMILES for acetylene;propane;N-(1,3-thiazol-2-yl)formamide is C#C.CCC.O=CNc1nccs1.
What is the InChIKey of acetylene;propane;N-(1,3-thiazol-2-yl)formamide?
The InChIKey is KAENASSDXVZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.C3H8.C2H2/c7-3-6-4-5-1-2-8-4;1-3-2;1-2/h1-3H,(H,5,6,7);3H2,1-2H3;1-2H.
What are the key properties of acetylene;propane;N-(1,3-thiazol-2-yl)formamide?
acetylene;propane;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 198.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;propane;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 143752029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).