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

C14H20N4S — CID 131892163

IUPAC5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H20N4S/c1-12-14(19-11-16-12)9-17-5-2-13(3-6-17)8-18-7-4-15-10-18/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3
InChIKeySKDGOOPUEOQVMH-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.56
Rot. Bonds4

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

5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 131892163) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID131892163
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H20N4S/c1-12-14(19-11-16-12)9-17-5-2-13(3-6-17)8-18-7-4-15-10-18/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3
InChIKeySKDGOOPUEOQVMH-UHFFFAOYSA-N
XLogP2.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 131892163) is 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is SKDGOOPUEOQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-12-14(19-11-16-12)9-17-5-2-13(3-6-17)8-18-7-4-15-10-18/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3.
What are the key properties of 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 276.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 131892163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).