2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole

C13H17N3S2 — CID 55242521

IUPAC2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(C3CCCNC3)n2)s1
InChIInChI=1S/C13H17N3S2/c1-8-12(18-9(2)15-8)11-7-17-13(16-11)10-4-3-5-14-6-10/h7,10,14H,3-6H2,1-2H3
InChIKeyGXFAZGQRVGZLDE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.35
Rot. Bonds2

About 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole

2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole (PubChem CID 55242521) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
PubChem CID55242521
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(C3CCCNC3)n2)s1
InChIInChI=1S/C13H17N3S2/c1-8-12(18-9(2)15-8)11-7-17-13(16-11)10-4-3-5-14-6-10/h7,10,14H,3-6H2,1-2H3
InChIKeyGXFAZGQRVGZLDE-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole (CID 55242521) is 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole is Cc1nc(C)c(-c2csc(C3CCCNC3)n2)s1.
What is the InChIKey of 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole?
The InChIKey is GXFAZGQRVGZLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-8-12(18-9(2)15-8)11-7-17-13(16-11)10-4-3-5-14-6-10/h7,10,14H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole?
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 55242521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).