1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one

C18H17ClN6OS — CID 69401490

IUPAC1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cccc(-c4ncc(Cl)s4)n3)nc2)C(=O)C1
InChIInChI=1S/C18H17ClN6OS/c1-24-7-8-25(17(26)11-24)12-5-6-15(20-9-12)23-16-4-2-3-13(22-16)18-21-10-14(19)27-18/h2-6,9-10H,7-8,11H2,1H3,(H,20,22,23)
InChIKeyMHJQQVBYVFXJAI-UHFFFAOYSA-N
MW400.90 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one

1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one (PubChem CID 69401490) has the molecular formula C18H17ClN6OS and a molecular weight of 400.90 g/mol. Its IUPAC name is 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
PubChem CID69401490
Molecular FormulaC18H17ClN6OS
Molecular Weight400.90 g/mol
Exact Mass400.09
IUPAC Name1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cccc(-c4ncc(Cl)s4)n3)nc2)C(=O)C1
InChIInChI=1S/C18H17ClN6OS/c1-24-7-8-25(17(26)11-24)12-5-6-15(20-9-12)23-16-4-2-3-13(22-16)18-21-10-14(19)27-18/h2-6,9-10H,7-8,11H2,1H3,(H,20,22,23)
InChIKeyMHJQQVBYVFXJAI-UHFFFAOYSA-N
XLogP3.28
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-alkylamide derivative 1
CID 118204326
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
N-(2-(1,4''-bipiperidin-1''-yl)benzo[d]thiazol-6-yl)acetamide
CID 45482692
N-(2-(1,4''-bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)acetamide
CID 45482780
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
CID 118204277
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 118204279
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
CID 118204291
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]propyl]-1,3-thiazole-2-carboxamide
CID 118204292
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide
CID 118204293
[2-[5-Chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 118204300

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one (CID 69401490) is 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one is CN1CCN(c2ccc(Nc3cccc(-c4ncc(Cl)s4)n3)nc2)C(=O)C1.
What is the InChIKey of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one?
The InChIKey is MHJQQVBYVFXJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6OS/c1-24-7-8-25(17(26)11-24)12-5-6-15(20-9-12)23-16-4-2-3-13(22-16)18-21-10-14(19)27-18/h2-6,9-10H,7-8,11H2,1H3,(H,20,22,23).
What are the key properties of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one?
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one has a molecular weight of 400.90 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 69401490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).