1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea

C17H17N3O3S — CID 71655728

IUPAC1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
SMILESCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)
InChIKeyLAAHHHDILCOULN-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea

1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea (PubChem CID 71655728) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
PubChem CID71655728
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
SMILESCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)
InChIKeyLAAHHHDILCOULN-UHFFFAOYSA-N
XLogP3.09
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 71655730
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
1-Ethyl-3-(6-(2-methoxyphenyl)benzo[d]thiazol-2-yl)urea
CID 71655597
Bcr-Abl Inhibitor 9b
CID 71655598
1-[6-(4-Amino-2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71655666
1-Ethyl-3-[6-(3-methoxy-4-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 71655668
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655669
1-(3-Hydroxypropyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655729
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 71655732
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(3-hydroxypropyl)urea
CID 71655733

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea (CID 71655728) is 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea is COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is LAAHHHDILCOULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22).
What are the key properties of 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea?
1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 343.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 71655728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).