1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea

C12H13N5O2S — CID 175067978

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea
SMILESCc1nc(N(NC(=O)c2ccncc2)C(N)=O)sc1C
InChIInChI=1S/C12H13N5O2S/c1-7-8(2)20-12(15-7)17(11(13)19)16-10(18)9-3-5-14-6-4-9/h3-6H,1-2H3,(H2,13,19)(H,16,18)
InChIKeyDXOLEDYOUHHGPV-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.39
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea (PubChem CID 175067978) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea
PubChem CID175067978
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea
SMILESCc1nc(N(NC(=O)c2ccncc2)C(N)=O)sc1C
InChIInChI=1S/C12H13N5O2S/c1-7-8(2)20-12(15-7)17(11(13)19)16-10(18)9-3-5-14-6-4-9/h3-6H,1-2H3,(H2,13,19)(H,16,18)
InChIKeyDXOLEDYOUHHGPV-UHFFFAOYSA-N
XLogP1.39
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea (CID 175067978) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea is Cc1nc(N(NC(=O)c2ccncc2)C(N)=O)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea?
The InChIKey is DXOLEDYOUHHGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-7-8(2)20-12(15-7)17(11(13)19)16-10(18)9-3-5-14-6-4-9/h3-6H,1-2H3,(H2,13,19)(H,16,18).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea has a molecular weight of 291.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea is sourced from PubChem (CID 175067978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).