1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

C13H17N3O2S2 — CID 121495515

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(C)(CO)NC(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C13H17N3O2S2/c1-13(2,8-17)16-12(18)14-6-9-7-20-11(15-9)10-4-3-5-19-10/h3-5,7,17H,6,8H2,1-2H3,(H2,14,16,18)
InChIKeyDQLRERBVHFQKMO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 121495515) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID121495515
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(C)(CO)NC(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C13H17N3O2S2/c1-13(2,8-17)16-12(18)14-6-9-7-20-11(15-9)10-4-3-5-19-10/h3-5,7,17H,6,8H2,1-2H3,(H2,14,16,18)
InChIKeyDQLRERBVHFQKMO-UHFFFAOYSA-N
XLogP2.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 121495515) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is CC(C)(CO)NC(=O)NCc1csc(-c2cccs2)n1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is DQLRERBVHFQKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-13(2,8-17)16-12(18)14-6-9-7-20-11(15-9)10-4-3-5-19-10/h3-5,7,17H,6,8H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 311.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 121495515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).