thiadiazole;urea

C3H6N4OS — CID 19910242

IUPACthiadiazole;urea
SMILESNC(N)=O.c1csnn1
InChIInChI=1S/C2H2N2S.CH4N2O/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4)
InChIKeyISYCTVJTNGTOOM-UHFFFAOYSA-N
MW146.18 g/mol
LogP-0.44
Rot. Bonds

About thiadiazole;urea

thiadiazole;urea (PubChem CID 19910242) has the molecular formula C3H6N4OS and a molecular weight of 146.18 g/mol. Its IUPAC name is thiadiazole;urea.

Molecular Properties

Compound Namethiadiazole;urea
PubChem CID19910242
Molecular FormulaC3H6N4OS
Molecular Weight146.18 g/mol
Exact Mass146.03
IUPAC Namethiadiazole;urea
SMILESNC(N)=O.c1csnn1
InChIInChI=1S/C2H2N2S.CH4N2O/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4)
InChIKeyISYCTVJTNGTOOM-UHFFFAOYSA-N
XLogP-0.44
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3-Thiadiazole
CID 67518
1,2,3-Thiadiazole 2-oxide
CID 66706035
(413C)thiadiazole
CID 12474601
Azane;thiadiazole
CID 19780341
Carbamoyl chloride;thiadiazole
CID 20243319
Carbamodithioic acid;thiadiazole
CID 22648771
Thiadiazol-2-ium-2-amine
CID 23227845
Thiadiazole;dihydrate
CID 23318263
Thiadiazole;thiourea
CID 23334128
Guanidine;thiadiazole
CID 23337144
Acetamide;thiadiazole
CID 67627387
1,3-Diaminourea;thiadiazole
CID 68423091

Frequently Asked Questions

What is the IUPAC name of thiadiazole;urea?
The IUPAC name of thiadiazole;urea (CID 19910242) is thiadiazole;urea.
What is the SMILES notation for thiadiazole;urea?
The canonical SMILES for thiadiazole;urea is NC(N)=O.c1csnn1.
What is the InChIKey of thiadiazole;urea?
The InChIKey is ISYCTVJTNGTOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.CH4N2O/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4).
What are the key properties of thiadiazole;urea?
thiadiazole;urea has a molecular weight of 146.18 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole;urea is sourced from PubChem (CID 19910242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).