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

C10H15N3O3S — CID 66599383

IUPAC2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
SMILESCc1cnc(C(=O)NN(CC(C)C)C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-6(2)5-13(10(15)16)12-8(14)9-11-4-7(3)17-9/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyPTEJEVCYLBNVBQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.73
Rot. Bonds3

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

2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid (PubChem CID 66599383) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid.

Molecular Properties

Compound Name2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
PubChem CID66599383
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
SMILESCc1cnc(C(=O)NN(CC(C)C)C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-6(2)5-13(10(15)16)12-8(14)9-11-4-7(3)17-9/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyPTEJEVCYLBNVBQ-UHFFFAOYSA-N
XLogP1.73
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
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 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The IUPAC name of 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid (CID 66599383) is 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid.
What is the SMILES notation for 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The canonical SMILES for 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid is Cc1cnc(C(=O)NN(CC(C)C)C(=O)O)s1.
What is the InChIKey of 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
The InChIKey is PTEJEVCYLBNVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)5-13(10(15)16)12-8(14)9-11-4-7(3)17-9/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid?
2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid has a molecular weight of 257.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid is sourced from PubChem (CID 66599383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).