1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

C19H22N4O3S — CID 97435153

IUPAC1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@H](CNC(=O)Nc2ccc3ncsc3c2)N2CCOCC2)o1
InChIInChI=1S/C19H22N4O3S/c1-13-2-5-17(26-13)16(23-6-8-25-9-7-23)11-20-19(24)22-14-3-4-15-18(10-14)27-12-21-15/h2-5,10,12,16H,6-9,11H2,1H3,(H2,20,22,24)/t16-/m0/s1
InChIKeyPVPVUHXZHZDLSZ-INIZCTEOSA-N
MW386.48 g/mol
LogP3.39
Rot. Bonds5

About 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 97435153) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID97435153
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@H](CNC(=O)Nc2ccc3ncsc3c2)N2CCOCC2)o1
InChIInChI=1S/C19H22N4O3S/c1-13-2-5-17(26-13)16(23-6-8-25-9-7-23)11-20-19(24)22-14-3-4-15-18(10-14)27-12-21-15/h2-5,10,12,16H,6-9,11H2,1H3,(H2,20,22,24)/t16-/m0/s1
InChIKeyPVPVUHXZHZDLSZ-INIZCTEOSA-N
XLogP3.39
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987253
1-[4-(difluoromethoxy)phenyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987370
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-sulfamoylphenyl)urea
CID 55684084
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
1-(2-fluoro-4-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987160
1-(5-fluoro-2-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86986971
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 97435153) is 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is Cc1ccc([C@H](CNC(=O)Nc2ccc3ncsc3c2)N2CCOCC2)o1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is PVPVUHXZHZDLSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-2-5-17(26-13)16(23-6-8-25-9-7-23)11-20-19(24)22-14-3-4-15-18(10-14)27-12-21-15/h2-5,10,12,16H,6-9,11H2,1H3,(H2,20,22,24)/t16-/m0/s1.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 386.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 97435153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).