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

C13H14N4O2S — CID 175069307

IUPAC1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(N(NC(=O)c2ccccc2)C(N)=O)sc1C
InChIInChI=1S/C13H14N4O2S/c1-8-9(2)20-13(15-8)17(12(14)19)16-11(18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,19)(H,16,18)
InChIKeyQMVDDVDOAVMRPK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.99
Rot. Bonds2

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

1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea (PubChem CID 175069307) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea
PubChem CID175069307
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(N(NC(=O)c2ccccc2)C(N)=O)sc1C
InChIInChI=1S/C13H14N4O2S/c1-8-9(2)20-13(15-8)17(12(14)19)16-11(18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,19)(H,16,18)
InChIKeyQMVDDVDOAVMRPK-UHFFFAOYSA-N
XLogP1.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.99
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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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridine-4-carbonylamino)urea
CID 175067978
(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 118954162
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N',N'-dibenzamidobenzohydrazide
CID 91211036
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
ethyl 2-[benzamido-(2-chloroacetyl)amino]-1,3-thiazole-4-carboxylate
CID 4874446
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151
2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 65169781
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 95507492

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea (CID 175069307) is 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea is Cc1nc(N(NC(=O)c2ccccc2)C(N)=O)sc1C.
What is the InChIKey of 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The InChIKey is QMVDDVDOAVMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-9(2)20-13(15-8)17(12(14)19)16-11(18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,19)(H,16,18).
What are the key properties of 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea has a molecular weight of 290.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 175069307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).