[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

C23H32FN5OS — CID 176957497

IUPAC[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nc(NC(C)c2ncccc2F)sc1C(=O)N1CCC(N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C23H32FN5OS/c1-15-6-5-11-29(14-15)18-8-12-28(13-9-18)22(30)21-17(3)27-23(31-21)26-16(2)20-19(24)7-4-10-25-20/h4,7,10,15-16,18H,5-6,8-9,11-14H2,1-3H3,(H,26,27)/t15-,16?/m1/s1
InChIKeyGVRHWLPWKUBXLK-AAFJCEBUSA-N
MW445.61 g/mol
LogP4.50
Rot. Bonds5

About [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 176957497) has the molecular formula C23H32FN5OS and a molecular weight of 445.61 g/mol. Its IUPAC name is [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID176957497
Molecular FormulaC23H32FN5OS
Molecular Weight445.61 g/mol
Exact Mass445.23
IUPAC Name[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nc(NC(C)c2ncccc2F)sc1C(=O)N1CCC(N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C23H32FN5OS/c1-15-6-5-11-29(14-15)18-8-12-28(13-9-18)22(30)21-17(3)27-23(31-21)26-16(2)20-19(24)7-4-10-25-20/h4,7,10,15-16,18H,5-6,8-9,11-14H2,1-3H3,(H,26,27)/t15-,16?/m1/s1
InChIKeyGVRHWLPWKUBXLK-AAFJCEBUSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182069
N-[(2,6-difluorophenyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide
CID 123562114
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389338
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
(4-methylpiperidin-1-yl)-[4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanone
CID 53173008
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72896278
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
N-[(2-chloro-3-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652194

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (CID 176957497) is [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is Cc1nc(NC(C)c2ncccc2F)sc1C(=O)N1CCC(N2CCC[C@@H](C)C2)CC1.
What is the InChIKey of [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is GVRHWLPWKUBXLK-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H32FN5OS/c1-15-6-5-11-29(14-15)18-8-12-28(13-9-18)22(30)21-17(3)27-23(31-21)26-16(2)20-19(24)7-4-10-25-20/h4,7,10,15-16,18H,5-6,8-9,11-14H2,1-3H3,(H,26,27)/t15-,16?/m1/s1.
What are the key properties of [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 445.61 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 176957497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).