tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate

C25H37N5O3S — CID 167759698

IUPACtert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CNCC2(N3CCN(c4ccccc4)CC3)CCOCC2)s1
InChIInChI=1S/C25H37N5O3S/c1-24(2,3)33-23(31)28-22-27-18-21(34-22)17-26-19-25(9-15-32-16-10-25)30-13-11-29(12-14-30)20-7-5-4-6-8-20/h4-8,18,26H,9-17,19H2,1-3H3,(H,27,28,31)
InChIKeyWZGIYJSXKMZXBH-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.95
Rot. Bonds7

About tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 167759698) has the molecular formula C25H37N5O3S and a molecular weight of 487.67 g/mol. Its IUPAC name is tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID167759698
Molecular FormulaC25H37N5O3S
Molecular Weight487.67 g/mol
Exact Mass487.26
IUPAC Nametert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CNCC2(N3CCN(c4ccccc4)CC3)CCOCC2)s1
InChIInChI=1S/C25H37N5O3S/c1-24(2,3)33-23(31)28-22-27-18-21(34-22)17-26-19-25(9-15-32-16-10-25)30-13-11-29(12-14-30)20-7-5-4-6-8-20/h4-8,18,26H,9-17,19H2,1-3H3,(H,27,28,31)
InChIKeyWZGIYJSXKMZXBH-UHFFFAOYSA-N
XLogP3.95
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate
CID 154794125
1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129183
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 66553218
tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 174862620
3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]-3-oxopropanoic acid
CID 86760124
tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769747
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
tert-butyl N-[5-[[[4-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]carbamate
CID 100629934

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate (CID 167759698) is tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(CNCC2(N3CCN(c4ccccc4)CC3)CCOCC2)s1.
What is the InChIKey of tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is WZGIYJSXKMZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3S/c1-24(2,3)33-23(31)28-22-27-18-21(34-22)17-26-19-25(9-15-32-16-10-25)30-13-11-29(12-14-30)20-7-5-4-6-8-20/h4-8,18,26H,9-17,19H2,1-3H3,(H,27,28,31).
What are the key properties of tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 487.67 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 167759698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).