[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate

C18H17N5O3S — CID 11560023

IUPAC[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1
InChIInChI=1S/C18H17N5O3S/c1-11-20-16(18(27-11)22-13-6-4-8-19-9-13)17(25)23-15-7-3-5-14(21-15)10-26-12(2)24/h3-9,22H,10H2,1-2H3,(H,21,23,25)
InChIKeyPASSDPXLAXILLB-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.30
Rot. Bonds6

About [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate

[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate (PubChem CID 11560023) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
PubChem CID11560023
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1
InChIInChI=1S/C18H17N5O3S/c1-11-20-16(18(27-11)22-13-6-4-8-19-9-13)17(25)23-15-7-3-5-14(21-15)10-26-12(2)24/h3-9,22H,10H2,1-2H3,(H,21,23,25)
InChIKeyPASSDPXLAXILLB-UHFFFAOYSA-N
XLogP3.30
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90958058
2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
CID 91265426
2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid
CID 150676735
N-(2-chloro-4-pyridinyl)-5-[3-(hydroxymethyl)anilino]-2-methyl-1,3-thiazole-4-carboxamide
CID 90809120
5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 11515853
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11530468
N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11523340
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
2-ethyl-6-hydrazinyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 113381139
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057

Frequently Asked Questions

What is the IUPAC name of [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate?
The IUPAC name of [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate (CID 11560023) is [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate?
The canonical SMILES for [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate is CC(=O)OCc1cccc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1.
What is the InChIKey of [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate?
The InChIKey is PASSDPXLAXILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-11-20-16(18(27-11)22-13-6-4-8-19-9-13)17(25)23-15-7-3-5-14(21-15)10-26-12(2)24/h3-9,22H,10H2,1-2H3,(H,21,23,25).
What are the key properties of [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate?
[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate has a molecular weight of 383.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 11560023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).