1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane

C11H21N3OS — CID 143608747

IUPAC1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
SMILESCC.Cc1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3OS.C2H6/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4;1-2/h5H,1-4H3,(H2,10,11,12,13);1-2H3
InChIKeyLCZKYIXPQYEFKJ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.40
Rot. Bonds1

About 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane

1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane (PubChem CID 143608747) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
PubChem CID143608747
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
SMILESCC.Cc1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3OS.C2H6/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4;1-2/h5H,1-4H3,(H2,10,11,12,13);1-2H3
InChIKeyLCZKYIXPQYEFKJ-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 62050023
1-(4-methyl-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915056
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide
CID 130635299
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-amino-2-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60867878
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47434402

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane?
The IUPAC name of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane (CID 143608747) is 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane.
What is the SMILES notation for 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane?
The canonical SMILES for 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane is CC.Cc1csc(NC(=O)NC(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane?
The InChIKey is LCZKYIXPQYEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.C2H6/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4;1-2/h5H,1-4H3,(H2,10,11,12,13);1-2H3.
What are the key properties of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane?
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane has a molecular weight of 243.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane is sourced from PubChem (CID 143608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).