2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

C26H27N9OS — CID 142284051

IUPAC2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)cc1-n1ccnc1
InChIInChI=1S/C26H27N9OS/c1-2-19-14-28-25(13-24(19)34-12-9-27-17-34)33-10-7-20(8-11-33)26-30-21(16-37-26)15-36-23-5-3-22(4-6-23)35-18-29-31-32-35/h3-6,9,12-14,16-18,20H,2,7-8,10-11,15H2,1H3
InChIKeyFXGWQJQSGGMOJQ-UHFFFAOYSA-N
MW513.63 g/mol
LogP4.22
Rot. Bonds8

About 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 142284051) has the molecular formula C26H27N9OS and a molecular weight of 513.63 g/mol. Its IUPAC name is 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID142284051
Molecular FormulaC26H27N9OS
Molecular Weight513.63 g/mol
Exact Mass513.21
IUPAC Name2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)cc1-n1ccnc1
InChIInChI=1S/C26H27N9OS/c1-2-19-14-28-25(13-24(19)34-12-9-27-17-34)33-10-7-20(8-11-33)26-30-21(16-37-26)15-36-23-5-3-22(4-6-23)35-18-29-31-32-35/h3-6,9,12-14,16-18,20H,2,7-8,10-11,15H2,1H3
InChIKeyFXGWQJQSGGMOJQ-UHFFFAOYSA-N
XLogP4.22
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

Mbx-2982
CID 25025505
gamma-Secretase modulator 5
CID 56592447
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 56592448
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225642
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 72703061
N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 86275158
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
CID 86275160
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine
CID 86275399
N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 88875716
N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 118684962
2-(3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazole
CID 155549080
3-[[3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 142284051) is 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)cc1-n1ccnc1.
What is the InChIKey of 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is FXGWQJQSGGMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9OS/c1-2-19-14-28-25(13-24(19)34-12-9-27-17-34)33-10-7-20(8-11-33)26-30-21(16-37-26)15-36-23-5-3-22(4-6-23)35-18-29-31-32-35/h3-6,9,12-14,16-18,20H,2,7-8,10-11,15H2,1H3.
What are the key properties of 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 513.63 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-4-imidazol-1-yl-2-pyridinyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 142284051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).