1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C12H21N3O2S — CID 47194230

IUPAC1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCCCOCC(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)7-17-6-4-5-13-11(16)15-12-14-10(3)8-18-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyBKVLVLOSCTVKJW-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.64
Rot. Bonds7

About 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194230) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194230
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCCCOCC(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)7-17-6-4-5-13-11(16)15-12-14-10(3)8-18-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyBKVLVLOSCTVKJW-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
1-(4-methyl-1,3-thiazol-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47206096
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
1-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
CID 19703595
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111401890
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
1-(4-methyl-1,3-thiazol-2-yl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880217
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
1-[3-(2-methylpropoxy)propyl]-3-(4-nitrophenyl)urea
CID 46493828
1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194230) is 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCCCOCC(C)C)n1.
What is the InChIKey of 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is BKVLVLOSCTVKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)7-17-6-4-5-13-11(16)15-12-14-10(3)8-18-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 271.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).