1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea

C19H26N4O2S — CID 75466716

IUPAC1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)NC1CCCCCC1
InChIInChI=1S/C19H26N4O2S/c24-18(20-14-5-3-1-2-4-6-14)21-15-7-8-16-17(13-15)26-19(22-16)23-9-11-25-12-10-23/h7-8,13-14H,1-6,9-12H2,(H2,20,21,24)
InChIKeyLFDMRGGZPDUFBH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.98
Rot. Bonds3

About 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea

1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea (PubChem CID 75466716) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
PubChem CID75466716
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)NC1CCCCCC1
InChIInChI=1S/C19H26N4O2S/c24-18(20-14-5-3-1-2-4-6-14)21-15-7-8-16-17(13-15)26-19(22-16)23-9-11-25-12-10-23/h7-8,13-14H,1-6,9-12H2,(H2,20,21,24)
InChIKeyLFDMRGGZPDUFBH-UHFFFAOYSA-N
XLogP3.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
(2R)-1-methylsulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 32622162
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
(2S,5R)-5-(aminomethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797130
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
(2S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962243
1-cyclopropyl-3-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]urea
CID 126140188
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 43066360
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea (CID 75466716) is 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea?
The InChIKey is LFDMRGGZPDUFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-18(20-14-5-3-1-2-4-6-14)21-15-7-8-16-17(13-15)26-19(22-16)23-9-11-25-12-10-23/h7-8,13-14H,1-6,9-12H2,(H2,20,21,24).
What are the key properties of 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea?
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea has a molecular weight of 374.51 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 75466716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).