1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea

C21H26N4O2S — CID 166240344

IUPAC1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)NC1CC2(CCC2)C1
InChIInChI=1S/C21H26N4O2S/c26-19(23-17-12-21(13-17)6-1-7-21)22-16-4-2-15(3-5-16)18-14-28-20(24-18)25-8-10-27-11-9-25/h2-5,14,17H,1,6-13H2,(H2,22,23,26)
InChIKeyOYTMWPLPVKRXOW-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.10
Rot. Bonds4

About 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea

1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea (PubChem CID 166240344) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
PubChem CID166240344
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)NC1CC2(CCC2)C1
InChIInChI=1S/C21H26N4O2S/c26-19(23-17-12-21(13-17)6-1-7-21)22-16-4-2-15(3-5-16)18-14-28-20(24-18)25-8-10-27-11-9-25/h2-5,14,17H,1,6-13H2,(H2,22,23,26)
InChIKeyOYTMWPLPVKRXOW-UHFFFAOYSA-N
XLogP4.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
CID 167887337
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 24573079
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
3-[4-(dimethylamino)phenyl]-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18272653
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea?
The IUPAC name of 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea (CID 166240344) is 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea.
What is the SMILES notation for 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea?
The canonical SMILES for 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea is O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)NC1CC2(CCC2)C1.
What is the InChIKey of 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea?
The InChIKey is OYTMWPLPVKRXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-19(23-17-12-21(13-17)6-1-7-21)22-16-4-2-15(3-5-16)18-14-28-20(24-18)25-8-10-27-11-9-25/h2-5,14,17H,1,6-13H2,(H2,22,23,26).
What are the key properties of 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea?
1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea has a molecular weight of 398.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea is sourced from PubChem (CID 166240344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).