4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole

C14H24N2S — CID 116829012

IUPAC4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCNCC2)nc1C(C)(C)C
InChIInChI=1S/C14H24N2S/c1-10-13(14(2,3)4)16-12(17-10)9-11-5-7-15-8-6-11/h11,15H,5-9H2,1-4H3
InChIKeyQQQFEOHWLKGWKH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.29
Rot. Bonds2

About 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole

4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 116829012) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID116829012
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCNCC2)nc1C(C)(C)C
InChIInChI=1S/C14H24N2S/c1-10-13(14(2,3)4)16-12(17-10)9-11-5-7-15-8-6-11/h11,15H,5-9H2,1-4H3
InChIKeyQQQFEOHWLKGWKH-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271
2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422719
4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 115041812

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole (CID 116829012) is 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCNCC2)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is QQQFEOHWLKGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-13(14(2,3)4)16-12(17-10)9-11-5-7-15-8-6-11/h11,15H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 252.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116829012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).