1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

C20H23N5O3S — CID 122188117

IUPAC1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3c2)cn1
InChIInChI=1S/C20H23N5O3S/c1-27-18-5-3-15(13-22-18)14-2-4-16-17(12-14)29-20(23-16)24-19(26)21-6-7-25-8-10-28-11-9-25/h2-5,12-13H,6-11H2,1H3,(H2,21,23,24,26)
InChIKeyBERLCZAODRNRRR-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.82
Rot. Bonds6

About 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 122188117) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID122188117
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3c2)cn1
InChIInChI=1S/C20H23N5O3S/c1-27-18-5-3-15(13-22-18)14-2-4-16-17(12-14)29-20(23-16)24-19(26)21-6-7-25-8-10-28-11-9-25/h2-5,12-13H,6-11H2,1H3,(H2,21,23,24,26)
InChIKeyBERLCZAODRNRRR-UHFFFAOYSA-N
XLogP2.82
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
1-{5-[2-(Morpholin-4-Yl)ethoxy]-6-(Pyridin-3-Yl)[1,3]thiazolo[5,4-B]pyridin-2-Yl}-3-Prop-2-En-1-Ylurea
CID 59352802
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655728
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 71655730
6-(6-Methoxypyridin-3-yl)benzo[d]thiazol-2-amine
CID 51003592
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-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (CID 122188117) is 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is COc1ccc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3c2)cn1.
What is the InChIKey of 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is BERLCZAODRNRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-27-18-5-3-15(13-22-18)14-2-4-16-17(12-14)29-20(23-16)24-19(26)21-6-7-25-8-10-28-11-9-25/h2-5,12-13H,6-11H2,1H3,(H2,21,23,24,26).
What are the key properties of 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 413.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 122188117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).