(1,3-thiazole-5-carbonylamino)carbamic acid

C5H5N3O3S — CID 123379520

IUPAC(1,3-thiazole-5-carbonylamino)carbamic acid
SMILESO=C(O)NNC(=O)c1cncs1
InChIInChI=1S/C5H5N3O3S/c9-4(7-8-5(10)11)3-1-6-2-12-3/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyDLXQULZAGYSLLP-UHFFFAOYSA-N
MW187.18 g/mol
LogP0.06
Rot. Bonds1

About (1,3-thiazole-5-carbonylamino)carbamic acid

(1,3-thiazole-5-carbonylamino)carbamic acid (PubChem CID 123379520) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is (1,3-thiazole-5-carbonylamino)carbamic acid.

Molecular Properties

Compound Name(1,3-thiazole-5-carbonylamino)carbamic acid
PubChem CID123379520
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name(1,3-thiazole-5-carbonylamino)carbamic acid
SMILESO=C(O)NNC(=O)c1cncs1
InChIInChI=1S/C5H5N3O3S/c9-4(7-8-5(10)11)3-1-6-2-12-3/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyDLXQULZAGYSLLP-UHFFFAOYSA-N
XLogP0.06
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
1-(1,3-thiazole-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 59496322
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 103881171
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303

Frequently Asked Questions

What is the IUPAC name of (1,3-thiazole-5-carbonylamino)carbamic acid?
The IUPAC name of (1,3-thiazole-5-carbonylamino)carbamic acid (CID 123379520) is (1,3-thiazole-5-carbonylamino)carbamic acid.
What is the SMILES notation for (1,3-thiazole-5-carbonylamino)carbamic acid?
The canonical SMILES for (1,3-thiazole-5-carbonylamino)carbamic acid is O=C(O)NNC(=O)c1cncs1.
What is the InChIKey of (1,3-thiazole-5-carbonylamino)carbamic acid?
The InChIKey is DLXQULZAGYSLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c9-4(7-8-5(10)11)3-1-6-2-12-3/h1-2,8H,(H,7,9)(H,10,11).
What are the key properties of (1,3-thiazole-5-carbonylamino)carbamic acid?
(1,3-thiazole-5-carbonylamino)carbamic acid has a molecular weight of 187.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-thiazole-5-carbonylamino)carbamic acid is sourced from PubChem (CID 123379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).