2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

C18H26N6OS — CID 56700108

IUPAC2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C18H26N6OS/c1-12-11-15(24-9-5-4-6-10-24)23-18(21-12)20-8-7-19-17(25)16-13(2)22-14(3)26-16/h11H,4-10H2,1-3H3,(H,19,25)(H,20,21,23)
InChIKeyHWRDTJLWPSTTEK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.69
Rot. Bonds6

About 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 56700108) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID56700108
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C18H26N6OS/c1-12-11-15(24-9-5-4-6-10-24)23-18(21-12)20-8-7-19-17(25)16-13(2)22-14(3)26-16/h11H,4-10H2,1-3H3,(H,19,25)(H,20,21,23)
InChIKeyHWRDTJLWPSTTEK-UHFFFAOYSA-N
XLogP2.69
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 121075270
2-ethyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 121075133
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 56700364
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56922333
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122294344
3,4-difluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122294334
2,4-dichloro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 70703179
5-fluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 122294498
1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]triazole-4-carboxamide
CID 122294919
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]naphthalene-1-carboxamide
CID 121075164
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide
CID 121075047

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 56700108) is 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HWRDTJLWPSTTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-12-11-15(24-9-5-4-6-10-24)23-18(21-12)20-8-7-19-17(25)16-13(2)22-14(3)26-16/h11H,4-10H2,1-3H3,(H,19,25)(H,20,21,23).
What are the key properties of 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56700108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).