[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C17H21N3OS — CID 1096815

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3OS/c1-12-3-5-14(6-4-12)18-17-19-15(11-22-17)16(21)20-9-7-13(2)8-10-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyWORQHMTVOPUIRG-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.07
Rot. Bonds3

About [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 1096815) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID1096815
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3OS/c1-12-3-5-14(6-4-12)18-17-19-15(11-22-17)16(21)20-9-7-13(2)8-10-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyWORQHMTVOPUIRG-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

H3B-120
CID 132355378
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
[3-(3,4-Dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 24793976
N-(4-isopropylphenyl)-1-(1,3-thiazol-4-ylcarbonyl)-3-piperidinamine
CID 24817118
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 667090
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10408130
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 21914735
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24955889

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 1096815) is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WORQHMTVOPUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-3-5-14(6-4-12)18-17-19-15(11-22-17)16(21)20-9-7-13(2)8-10-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1096815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).