carbamic acid;1H-pyrazole;1,3-thiazole

C7H10N4O2S — CID 69175075

IUPACcarbamic acid;1H-pyrazole;1,3-thiazole
SMILESNC(=O)O.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS.CH3NO2/c1-2-4-5-3-1;1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1-3H;2H2,(H,3,4)
InChIKeyNCRPOCAYLMPERS-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.18
Rot. Bonds

About carbamic acid;1H-pyrazole;1,3-thiazole

carbamic acid;1H-pyrazole;1,3-thiazole (PubChem CID 69175075) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is carbamic acid;1H-pyrazole;1,3-thiazole.

Molecular Properties

Compound Namecarbamic acid;1H-pyrazole;1,3-thiazole
PubChem CID69175075
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Namecarbamic acid;1H-pyrazole;1,3-thiazole
SMILESNC(=O)O.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS.CH3NO2/c1-2-4-5-3-1;1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1-3H;2H2,(H,3,4)
InChIKeyNCRPOCAYLMPERS-UHFFFAOYSA-N
XLogP1.18
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;1H-pyrazole;1,3-thiazole?
The IUPAC name of carbamic acid;1H-pyrazole;1,3-thiazole (CID 69175075) is carbamic acid;1H-pyrazole;1,3-thiazole.
What is the SMILES notation for carbamic acid;1H-pyrazole;1,3-thiazole?
The canonical SMILES for carbamic acid;1H-pyrazole;1,3-thiazole is NC(=O)O.c1cn[nH]c1.c1cscn1.
What is the InChIKey of carbamic acid;1H-pyrazole;1,3-thiazole?
The InChIKey is NCRPOCAYLMPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H3NS.CH3NO2/c1-2-4-5-3-1;1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1-3H;2H2,(H,3,4).
What are the key properties of carbamic acid;1H-pyrazole;1,3-thiazole?
carbamic acid;1H-pyrazole;1,3-thiazole has a molecular weight of 214.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1H-pyrazole;1,3-thiazole is sourced from PubChem (CID 69175075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).