[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

C19H18ClN5OS — CID 118204300

IUPAC[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1
InChIInChI=1S/C19H18ClN5OS/c1-12-4-5-14(11-22-12)24-17-15(20)9-13(10-23-17)16-3-2-7-25(16)19(26)18-21-6-8-27-18/h4-6,8-11,16H,2-3,7H2,1H3,(H,23,24)
InChIKeyYPMPXTNHHUWHLS-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.62
Rot. Bonds4

About [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 118204300) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID118204300
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1
InChIInChI=1S/C19H18ClN5OS/c1-12-4-5-14(11-22-12)24-17-15(20)9-13(10-23-17)16-3-2-7-25(16)19(26)18-21-6-8-27-18/h4-6,8-11,16H,2-3,7H2,1H3,(H,23,24)
InChIKeyYPMPXTNHHUWHLS-UHFFFAOYSA-N
XLogP4.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-alkylamide derivative 1
CID 118204326
2-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 16202152
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
[(6S)-6-[[(5-chloro-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 71622266
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
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2,2-dimethylpropyl]-1,3-thiazole-2-carboxamide
CID 118204306
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopentylmethyl]-1,3-thiazole-2-carboxamide
CID 118204307

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 118204300) is [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is Cc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1.
What is the InChIKey of [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is YPMPXTNHHUWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c1-12-4-5-14(11-22-12)24-17-15(20)9-13(10-23-17)16-3-2-7-25(16)19(26)18-21-6-8-27-18/h4-6,8-11,16H,2-3,7H2,1H3,(H,23,24).
What are the key properties of [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 399.91 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 118204300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).