2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C24H29N5O2S2 — CID 87374565

IUPAC2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1csc(Nc2ncc(SCC(=O)NCCN3CCCC3)cc2OCc2ccccc2)n1
InChIInChI=1S/C24H29N5O2S2/c1-18-16-33-24(27-18)28-23-21(31-15-19-7-3-2-4-8-19)13-20(14-26-23)32-17-22(30)25-9-12-29-10-5-6-11-29/h2-4,7-8,13-14,16H,5-6,9-12,15,17H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyYHHXDRKRQCFXNE-UHFFFAOYSA-N
MW483.66 g/mol
LogP4.47
Rot. Bonds11

About 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 87374565) has the molecular formula C24H29N5O2S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID87374565
Molecular FormulaC24H29N5O2S2
Molecular Weight483.66 g/mol
Exact Mass483.18
IUPAC Name2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1csc(Nc2ncc(SCC(=O)NCCN3CCCC3)cc2OCc2ccccc2)n1
InChIInChI=1S/C24H29N5O2S2/c1-18-16-33-24(27-18)28-23-21(31-15-19-7-3-2-4-8-19)13-20(14-26-23)32-17-22(30)25-9-12-29-10-5-6-11-29/h2-4,7-8,13-14,16H,5-6,9-12,15,17H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyYHHXDRKRQCFXNE-UHFFFAOYSA-N
XLogP4.47
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide;dihydrochloride
CID 87228998
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 86639686
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225678
4-chloro-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]oxy]benzoic acid
CID 24764897
methyl 3-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]sulfanyl]propanoate;hydrochloride
CID 24765077
(4-methylpiperazin-1-yl)-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenyl]methanone
CID 87373942
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 87374565) is 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1csc(Nc2ncc(SCC(=O)NCCN3CCCC3)cc2OCc2ccccc2)n1.
What is the InChIKey of 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is YHHXDRKRQCFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S2/c1-18-16-33-24(27-18)28-23-21(31-15-19-7-3-2-4-8-19)13-20(14-26-23)32-17-22(30)25-9-12-29-10-5-6-11-29/h2-4,7-8,13-14,16H,5-6,9-12,15,17H2,1H3,(H,25,30)(H,26,27,28).
What are the key properties of 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 483.66 g/mol, XLogP of 4.47, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 87374565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).