[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid

C16H20N4O4S — CID 87714087

IUPAC[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2cnc(NC(=O)O)s2)cc1
InChIInChI=1S/C16H20N4O4S/c1-3-10(4-2)18-14(21)19-11-5-7-12(8-6-11)24-13-9-17-15(25-13)20-16(22)23/h5-10H,3-4H2,1-2H3,(H,17,20)(H,22,23)(H2,18,19,21)
InChIKeyOSIFNZYAVURIJB-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.34
Rot. Bonds7

About [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid

[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87714087) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid
PubChem CID87714087
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2cnc(NC(=O)O)s2)cc1
InChIInChI=1S/C16H20N4O4S/c1-3-10(4-2)18-14(21)19-11-5-7-12(8-6-11)24-13-9-17-15(25-13)20-16(22)23/h5-10H,3-4H2,1-2H3,(H,17,20)(H,22,23)(H2,18,19,21)
InChIKeyOSIFNZYAVURIJB-UHFFFAOYSA-N
XLogP4.34
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid with MolForge

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Related Compounds

1-[5-(4-amino-2-methylphenoxy)-1,3-thiazol-2-yl]-3-pentan-3-ylurea
CID 87792427
1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
CID 87792498
ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198327
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate
CID 90282270
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 87714303
N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]-4-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]benzamide
CID 16739572
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoic acid
CID 4517788
1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361

Frequently Asked Questions

What is the IUPAC name of [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid (CID 87714087) is [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid is CCC(CC)NC(=O)Nc1ccc(Oc2cnc(NC(=O)O)s2)cc1.
What is the InChIKey of [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is OSIFNZYAVURIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-3-10(4-2)18-14(21)19-11-5-7-12(8-6-11)24-13-9-17-15(25-13)20-16(22)23/h5-10H,3-4H2,1-2H3,(H,17,20)(H,22,23)(H2,18,19,21).
What are the key properties of [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid?
[5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 364.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87714087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).