2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid

C8H13N3O2S — CID 22563250

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid
SMILESCc1nc(NCCNC(=O)O)sc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)14-7(11-5)9-3-4-10-8(12)13/h10H,3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyLAMBQYBFMQELAD-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.44
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid (PubChem CID 22563250) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid
PubChem CID22563250
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid
SMILESCc1nc(NCCNC(=O)O)sc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)14-7(11-5)9-3-4-10-8(12)13/h10H,3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyLAMBQYBFMQELAD-UHFFFAOYSA-N
XLogP1.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid (CID 22563250) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid is Cc1nc(NCCNC(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid?
The InChIKey is LAMBQYBFMQELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-6(2)14-7(11-5)9-3-4-10-8(12)13/h10H,3-4H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid has a molecular weight of 215.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid is sourced from PubChem (CID 22563250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).