N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C16H23N5S — CID 108778404

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2ncc(CN3CCCCC3C)s2)n1
InChIInChI=1S/C16H23N5S/c1-11-8-12(2)19-15(18-11)20-16-17-9-14(22-16)10-21-7-5-4-6-13(21)3/h8-9,13H,4-7,10H2,1-3H3,(H,17,18,19,20)
InChIKeyMTDSEXIPTIYVRU-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.67
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 108778404) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID108778404
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2ncc(CN3CCCCC3C)s2)n1
InChIInChI=1S/C16H23N5S/c1-11-8-12(2)19-15(18-11)20-16-17-9-14(22-16)10-21-7-5-4-6-13(21)3/h8-9,13H,4-7,10H2,1-3H3,(H,17,18,19,20)
InChIKeyMTDSEXIPTIYVRU-UHFFFAOYSA-N
XLogP3.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methylpiperidin-1-yl)methyl]-N-(6-methylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 108778428
6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108778408
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108768000
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108778425
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108783696
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 108778404) is N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is Cc1cc(C)nc(Nc2ncc(CN3CCCCC3C)s2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MTDSEXIPTIYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-11-8-12(2)19-15(18-11)20-16-17-9-14(22-16)10-21-7-5-4-6-13(21)3/h8-9,13H,4-7,10H2,1-3H3,(H,17,18,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 108778404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).