1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

C19H25N3O2S — CID 126773940

IUPAC1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2cccc(COCC3CC3)c2)s1
InChIInChI=1S/C19H25N3O2S/c1-13-10-20-17(25-13)19(2,3)22-18(23)21-16-6-4-5-15(9-16)12-24-11-14-7-8-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyZPJMJNWHIZVTDF-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 126773940) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID126773940
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2cccc(COCC3CC3)c2)s1
InChIInChI=1S/C19H25N3O2S/c1-13-10-20-17(25-13)19(2,3)22-18(23)21-16-6-4-5-15(9-16)12-24-11-14-7-8-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyZPJMJNWHIZVTDF-UHFFFAOYSA-N
XLogP4.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 126788978
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60590497
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide
CID 48598885
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[3-(cyclopropylmethoxymethyl)phenyl]-5-ethyl-2-hydroxybenzamide
CID 56552661
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 48599015
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (CID 126773940) is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is Cc1cnc(C(C)(C)NC(=O)Nc2cccc(COCC3CC3)c2)s1.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is ZPJMJNWHIZVTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-10-20-17(25-13)19(2,3)22-18(23)21-16-6-4-5-15(9-16)12-24-11-14-7-8-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 359.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 126773940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).