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

C9H15N3OS — CID 727871

IUPAC1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3OS/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyDWPUEYMFBPIUIG-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.37
Rot. Bonds1

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

1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 727871) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID727871
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3OS/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyDWPUEYMFBPIUIG-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N,4-dimethyl-1,3-thiazol-2-amine
CID 817030
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2221983
(Z)-[1-amino-3-[[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]propylidene]urea;dihydrochloride
CID 45262981
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30588636

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 727871) is 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea is 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?
The InChIKey is DWPUEYMFBPIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-5-14-8(10-6)11-7(13)12-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13).
What are the key properties of 1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 213.31 g/mol, XLogP of 2.37, 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 is sourced from PubChem (CID 727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).