1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea

C15H19N3O2S — CID 2554096

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)12-9-21-14(17-12)18-13(19)16-10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyTVLRFWWJOSJVOK-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2554096) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID2554096
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)12-9-21-14(17-12)18-13(19)16-10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyTVLRFWWJOSJVOK-UHFFFAOYSA-N
XLogP4.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
5-(2-(2-Methoxyphenylamino)thiazol-4-yl)-4-methylthiazol-2-amine
CID 3120507
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
N-(2-Methoxy-phenyl)-3-(4-methyl-thiazol-2-ylsulfanyl)-propionamide
CID 3882075
(2-Methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine
CID 785027
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 44450281
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 929876
4-{[1,1'-biphenyl]-4-yl}-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 2303545

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea (CID 2554096) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is TVLRFWWJOSJVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)12-9-21-14(17-12)18-13(19)16-10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 305.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2554096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).