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

C15H19N3O2S — CID 108879471

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-4-12-5-7-13(8-6-12)20-10-16-14(19)18-15-17-11(2)9-21-15/h5-9H,3-4,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyZSFIVXWKJPFXRX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.56
Rot. Bonds6

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

1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879471) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879471
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-4-12-5-7-13(8-6-12)20-10-16-14(19)18-15-17-11(2)9-21-15/h5-9H,3-4,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyZSFIVXWKJPFXRX-UHFFFAOYSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880217
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891596
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea (CID 108879471) is 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is ZSFIVXWKJPFXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-12-5-7-13(8-6-12)20-10-16-14(19)18-15-17-11(2)9-21-15/h5-9H,3-4,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).