1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

C15H20N4O2S — CID 138027518

IUPAC1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCCc1onc(C)c1CNC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4O2S/c1-3-12-10(9(2)19-21-12)8-16-14(20)18-15-17-11-6-4-5-7-13(11)22-15/h3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyRWIOHDSGSBRIOT-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.20
Rot. Bonds4

About 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (PubChem CID 138027518) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
PubChem CID138027518
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCCc1onc(C)c1CNC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4O2S/c1-3-12-10(9(2)19-21-12)8-16-14(20)18-15-17-11-6-4-5-7-13(11)22-15/h3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyRWIOHDSGSBRIOT-UHFFFAOYSA-N
XLogP3.20
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
CID 60669660
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
CID 138054205
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4732588
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66176793
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33040958
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824556
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
CID 167787672
1-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 128743141
5-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 17191195
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (CID 138027518) is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is CCc1onc(C)c1CNC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The InChIKey is RWIOHDSGSBRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-12-10(9(2)19-21-12)8-16-14(20)18-15-17-11-6-4-5-7-13(11)22-15/h3-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea has a molecular weight of 320.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 138027518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).