[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid

C6H7N3O3S — CID 134543464

IUPAC[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
SMILESCc1cnc(C(=O)NNC(=O)O)s1
InChIInChI=1S/C6H7N3O3S/c1-3-2-7-5(13-3)4(10)8-9-6(11)12/h2,9H,1H3,(H,8,10)(H,11,12)
InChIKeyOMOQDGCCMQOZPI-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.36
Rot. Bonds1

About [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid

[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid (PubChem CID 134543464) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid.

Molecular Properties

Compound Name[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
PubChem CID134543464
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
SMILESCc1cnc(C(=O)NNC(=O)O)s1
InChIInChI=1S/C6H7N3O3S/c1-3-2-7-5(13-3)4(10)8-9-6(11)12/h2,9H,1H3,(H,8,10)(H,11,12)
InChIKeyOMOQDGCCMQOZPI-UHFFFAOYSA-N
XLogP0.36
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The IUPAC name of [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid (CID 134543464) is [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid.
What is the SMILES notation for [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The canonical SMILES for [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid is Cc1cnc(C(=O)NNC(=O)O)s1.
What is the InChIKey of [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The InChIKey is OMOQDGCCMQOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-3-2-7-5(13-3)4(10)8-9-6(11)12/h2,9H,1H3,(H,8,10)(H,11,12).
What are the key properties of [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid has a molecular weight of 201.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid is sourced from PubChem (CID 134543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).