4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole

C23H30N4OS — CID 58941735

IUPAC4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)n1
InChIInChI=1S/C23H30N4OS/c1-23(2,3)21-15-29-22(26-21)18-6-4-17(5-7-18)13-27-10-8-20(9-11-27)28-14-19-12-24-16-25-19/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,24,25)
InChIKeyGJAUBYOWDQTKPS-UHFFFAOYSA-N
MW410.59 g/mol
LogP5.01
Rot. Bonds6

About 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole

4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole (PubChem CID 58941735) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole
PubChem CID58941735
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)n1
InChIInChI=1S/C23H30N4OS/c1-23(2,3)21-15-29-22(26-21)18-6-4-17(5-7-18)13-27-10-8-20(9-11-27)28-14-19-12-24-16-25-19/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,24,25)
InChIKeyGJAUBYOWDQTKPS-UHFFFAOYSA-N
XLogP5.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-{4-[(2s)-4-(Methylsulfonyl)morpholin-2-Yl]-1,3-Thiazol-2-Yl}phenyl)-1h-Imidazole-2-Carboxamide
CID 124037111
1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75367426
1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75367598
4-[(2S)-1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine
CID 95144266
(Z)-1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 135998221
1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 137155013
(Z)-1-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 143894785
1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75411346
2-({2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1H-imidazol-1-yl}methyl)morpholine hydrochloride
CID 145938445
1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 154802281
1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 47052259
4-(1-{[4-phenyl-5-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]methyl}propyl)morpholine
CID 50981098

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole (CID 58941735) is 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole is CC(C)(C)c1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)n1.
What is the InChIKey of 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole?
The InChIKey is GJAUBYOWDQTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-23(2,3)21-15-29-22(26-21)18-6-4-17(5-7-18)13-27-10-8-20(9-11-27)28-14-19-12-24-16-25-19/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole?
4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole has a molecular weight of 410.59 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 58941735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).