1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea

C16H22N4O2S — CID 87792498

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2cnc(N)s2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-4-11(5-2)19-16(21)20-13-7-6-12(8-10(13)3)22-14-9-18-15(17)23-14/h6-9,11H,4-5H2,1-3H3,(H2,17,18)(H2,19,20,21)
InChIKeyPYQRXSCUGYQZLF-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea

1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea (PubChem CID 87792498) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
PubChem CID87792498
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2cnc(N)s2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-4-11(5-2)19-16(21)20-13-7-6-12(8-10(13)3)22-14-9-18-15(17)23-14/h6-9,11H,4-5H2,1-3H3,(H2,17,18)(H2,19,20,21)
InChIKeyPYQRXSCUGYQZLF-UHFFFAOYSA-N
XLogP4.14
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid
CID 87714087
1-[5-(4-amino-2-methylphenoxy)-1,3-thiazol-2-yl]-3-pentan-3-ylurea
CID 87792427
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549
1-amino-1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-3-(methoxymethyl)phenyl]-3-pentan-3-ylurea
CID 87639171
(2S)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280434
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea (CID 87792498) is 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1ccc(Oc2cnc(N)s2)cc1C.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea?
The InChIKey is PYQRXSCUGYQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-11(5-2)19-16(21)20-13-7-6-12(8-10(13)3)22-14-9-18-15(17)23-14/h6-9,11H,4-5H2,1-3H3,(H2,17,18)(H2,19,20,21).
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea?
1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea has a molecular weight of 334.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea is sourced from PubChem (CID 87792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).