1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea

C11H19N3OS — CID 110747780

IUPAC1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCc1cncs1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)7-14-10(15)13-5-4-9-6-12-8-16-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyIOTDMLMYQKHEIX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.03
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea (PubChem CID 110747780) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
PubChem CID110747780
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCc1cncs1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)7-14-10(15)13-5-4-9-6-12-8-16-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyIOTDMLMYQKHEIX-UHFFFAOYSA-N
XLogP2.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
CID 110747852
3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
N-[2-(1,3-thiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 110717473
1-[2-(4-tert-butylphenoxy)ethyl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 166210884
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-(2-chlorophenyl)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717557
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717489

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea (CID 110747780) is 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea is CC(C)(C)CNC(=O)NCCc1cncs1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is IOTDMLMYQKHEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)7-14-10(15)13-5-4-9-6-12-8-16-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 241.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 110747780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).