5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole

C13H20N2S — CID 115041812

IUPAC5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCC1(c2cnc(CC3CCNCC3)s2)CC1
InChIInChI=1S/C13H20N2S/c1-13(4-5-13)11-9-15-12(16-11)8-10-2-6-14-7-3-10/h9-10,14H,2-8H2,1H3
InChIKeyFQMUOTFMZYBFQF-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.74
Rot. Bonds3

About 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole

5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 115041812) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID115041812
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCC1(c2cnc(CC3CCNCC3)s2)CC1
InChIInChI=1S/C13H20N2S/c1-13(4-5-13)11-9-15-12(16-11)8-10-2-6-14-7-3-10/h9-10,14H,2-8H2,1H3
InChIKeyFQMUOTFMZYBFQF-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine
CID 115027129
2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide
CID 166286599
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole (CID 115041812) is 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole is CC1(c2cnc(CC3CCNCC3)s2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is FQMUOTFMZYBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-13(4-5-13)11-9-15-12(16-11)8-10-2-6-14-7-3-10/h9-10,14H,2-8H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 115041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).