(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone

C24H28N4OS — CID 155983028

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc(C3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cc1
InChIInChI=1S/C24H28N4OS/c1-15-7-9-20(10-8-15)27-21-12-16(2)25-22(13-21)19-6-5-11-28(14-19)24(29)23-17(3)26-18(4)30-23/h7-10,12-13,19H,5-6,11,14H2,1-4H3,(H,25,27)
InChIKeyNUDBSZYKPWTNCI-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.54
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 155983028) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID155983028
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc(C3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cc1
InChIInChI=1S/C24H28N4OS/c1-15-7-9-20(10-8-15)27-21-12-16(2)25-22(13-21)19-6-5-11-28(14-19)24(29)23-17(3)26-18(4)30-23/h7-10,12-13,19H,5-6,11,14H2,1-4H3,(H,25,27)
InChIKeyNUDBSZYKPWTNCI-UHFFFAOYSA-N
XLogP5.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 95834881
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031954
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 127251619
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone (CID 155983028) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(Nc2cc(C)nc(C3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cc1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is NUDBSZYKPWTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-15-7-9-20(10-8-15)27-21-12-16(2)25-22(13-21)19-6-5-11-28(14-19)24(29)23-17(3)26-18(4)30-23/h7-10,12-13,19H,5-6,11,14H2,1-4H3,(H,25,27).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 420.58 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155983028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).