1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine

C30H31N3OS — CID 53495791

IUPAC1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)sc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H31N3OS/c31-30(15-4-16-30)26-13-11-23(12-14-26)27-28(24-5-2-1-3-6-24)35-29(32-27)25-9-7-22(8-10-25)21-33-17-19-34-20-18-33/h1-3,5-14H,4,15-21,31H2
InChIKeyUWYSOBAUKVCTCH-UHFFFAOYSA-N
MW481.67 g/mol
LogP6.31
Rot. Bonds6

About 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine

1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine (PubChem CID 53495791) has the molecular formula C30H31N3OS and a molecular weight of 481.67 g/mol. Its IUPAC name is 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine
PubChem CID53495791
Molecular FormulaC30H31N3OS
Molecular Weight481.67 g/mol
Exact Mass481.22
IUPAC Name1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)sc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H31N3OS/c31-30(15-4-16-30)26-13-11-23(12-14-26)27-28(24-5-2-1-3-6-24)35-29(32-27)25-9-7-22(8-10-25)21-33-17-19-34-20-18-33/h1-3,5-14H,4,15-21,31H2
InChIKeyUWYSOBAUKVCTCH-UHFFFAOYSA-N
XLogP6.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine with MolForge

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Related Compounds

2-[4-(4-benzylpiperazin-1-yl)phenyl]-4-naphthalen-1-yl-5-phenyl-1,3-thiazole
CID 139802783
1-(2,4-diphenyl-1,3-thiazol-5-yl)-4-morpholin-4-ylbutan-1-one
CID 157416789
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
3-amino-1-methyl-3-[4-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
CID 53495526
4-[[1-[[4-(2,5-diphenyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136950
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852555
N-(4,5-diphenyl-1,3-thiazol-2-yl)morpholin-4-amine
CID 10065675
4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-thiazol-2-amine
CID 10250107
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride
CID 163332514

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine (CID 53495791) is 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)sc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine?
The InChIKey is UWYSOBAUKVCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3OS/c31-30(15-4-16-30)26-13-11-23(12-14-26)27-28(24-5-2-1-3-6-24)35-29(32-27)25-9-7-22(8-10-25)21-33-17-19-34-20-18-33/h1-3,5-14H,4,15-21,31H2.
What are the key properties of 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine?
1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine has a molecular weight of 481.67 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 53495791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).