1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C19H22N4O2S2 — CID 56568207

IUPAC1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(C)c1nc(CCNC(=O)Nc2cccc(OCc3cscn3)c2)cs1
InChIInChI=1S/C19H22N4O2S2/c1-13(2)18-22-15(11-27-18)6-7-20-19(24)23-14-4-3-5-17(8-14)25-9-16-10-26-12-21-16/h3-5,8,10-13H,6-7,9H2,1-2H3,(H2,20,23,24)
InChIKeyYGPAYGYQNRLLLG-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.67
Rot. Bonds8

About 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 56568207) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID56568207
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(C)c1nc(CCNC(=O)Nc2cccc(OCc3cscn3)c2)cs1
InChIInChI=1S/C19H22N4O2S2/c1-13(2)18-22-15(11-27-18)6-7-20-19(24)23-14-4-3-5-17(8-14)25-9-16-10-26-12-21-16/h3-5,8,10-13H,6-7,9H2,1-2H3,(H2,20,23,24)
InChIKeyYGPAYGYQNRLLLG-UHFFFAOYSA-N
XLogP4.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567827
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567767
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567735
1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110350705
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 74240112
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 56568207) is 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is CC(C)c1nc(CCNC(=O)Nc2cccc(OCc3cscn3)c2)cs1.
What is the InChIKey of 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is YGPAYGYQNRLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-13(2)18-22-15(11-27-18)6-7-20-19(24)23-14-4-3-5-17(8-14)25-9-16-10-26-12-21-16/h3-5,8,10-13H,6-7,9H2,1-2H3,(H2,20,23,24).
What are the key properties of 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 402.55 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 56568207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).