N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C21H21N5OS2 — CID 59225642

IUPACN-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H21N5OS2/c1-16-14-29-21(24-16)25-20-19(27-13-17-5-3-2-4-6-17)11-18(12-23-20)28-10-9-26-8-7-22-15-26/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,24,25)
InChIKeyRMTMTQSEPUFOTD-UHFFFAOYSA-N
MW423.57 g/mol
LogP5.16
Rot. Bonds9

About N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 59225642) has the molecular formula C21H21N5OS2 and a molecular weight of 423.57 g/mol. Its IUPAC name is N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID59225642
Molecular FormulaC21H21N5OS2
Molecular Weight423.57 g/mol
Exact Mass423.12
IUPAC NameN-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H21N5OS2/c1-16-14-29-21(24-16)25-20-19(27-13-17-5-3-2-4-6-17)11-18(12-23-20)28-10-9-26-8-7-22-15-26/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,24,25)
InChIKeyRMTMTQSEPUFOTD-UHFFFAOYSA-N
XLogP5.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

JK184
CID 1069686
Imidazo(2,1-b)thiazole, 6-(4-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butoxy)phenyl)-
CID 9868983
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
5-[4-Cyclobutyl-1-[3-[4-(piperidin-4-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138862
5-[4-Ethyl-1-[3-[4-(piperidin-4-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138947
4-Methyl-5-[1-[3-(4-piperidin-4-yloxyphenyl)propyl]-4-propylimidazol-2-yl]thieno[3,2-b]pyrrole
CID 132139001
5-[4-Ethyl-1-[3-(4-piperidin-4-yloxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132139066
4-Methyl-5-[1-[3-[4-(piperidin-4-ylmethoxy)phenyl]propyl]-4-propylimidazol-2-yl]thieno[3,2-b]pyrrole
CID 132143754
(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(2-methyl-1,3-thiazol-5-yl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 167047234
4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-(thiophen-2-ylmethoxy)-pyridine
CID 44568254
N-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 59225642) is N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1.
What is the InChIKey of N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RMTMTQSEPUFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS2/c1-16-14-29-21(24-16)25-20-19(27-13-17-5-3-2-4-6-17)11-18(12-23-20)28-10-9-26-8-7-22-15-26/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,24,25).
What are the key properties of N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 423.57 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59225642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).