1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea

C11H19N3OS — CID 110747789

IUPAC1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1ncc(CCNC(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-8-13-7-9(16-8)5-6-12-10(15)14-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,14,15)
InChIKeyXVHBASSRMYRTQH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.09
Rot. Bonds3

About 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea

1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 110747789) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID110747789
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1ncc(CCNC(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-8-13-7-9(16-8)5-6-12-10(15)14-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,14,15)
InChIKeyXVHBASSRMYRTQH-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
1-tert-butyl-3-[2-(2-methyl-1H-imidazol-5-yl)ethyl]urea
CID 110666641
1-tert-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110964276
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115747399
2,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717671
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742902
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717665
5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
CID 21405586

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea (CID 110747789) is 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea is Cc1ncc(CCNC(=O)NC(C)(C)C)s1.
What is the InChIKey of 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is XVHBASSRMYRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-13-7-9(16-8)5-6-12-10(15)14-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,14,15).
What are the key properties of 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea?
1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 241.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 110747789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).