2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

C13H17N3S2 — CID 110114171

IUPAC2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN(Cc2cncs2)CC1
InChIInChI=1S/C13H17N3S2/c1-13(12-15-4-7-17-12)2-5-16(6-3-13)9-11-8-14-10-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyIFEDSNVZYFMKEV-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.15
Rot. Bonds3

About 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 110114171) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID110114171
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN(Cc2cncs2)CC1
InChIInChI=1S/C13H17N3S2/c1-13(12-15-4-7-17-12)2-5-16(6-3-13)9-11-8-14-10-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyIFEDSNVZYFMKEV-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58394949
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CID 68260647
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CID 89616587
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CID 134232636
CID 134232636
CID 169075472
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CID 169075499
CID 169075499
CID 170239529
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CID 55139433
CID 55139433

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 110114171) is 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is CC1(c2nccs2)CCN(Cc2cncs2)CC1.
What is the InChIKey of 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is IFEDSNVZYFMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-13(12-15-4-7-17-12)2-5-16(6-3-13)9-11-8-14-10-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110114171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).