6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C14H18N6S2 — CID 35418030

IUPAC6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(Cc4csc(C)n4)CC3)sc2n1
InChIInChI=1S/C14H18N6S2/c1-10-7-20-13(15-10)22-14(17-20)19-5-3-18(4-6-19)8-12-9-21-11(2)16-12/h7,9H,3-6,8H2,1-2H3
InChIKeyHKADEQLDBOJWOM-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.19
Rot. Bonds3

About 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 35418030) has the molecular formula C14H18N6S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID35418030
Molecular FormulaC14H18N6S2
Molecular Weight334.47 g/mol
Exact Mass334.10
IUPAC Name6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(Cc4csc(C)n4)CC3)sc2n1
InChIInChI=1S/C14H18N6S2/c1-10-7-20-13(15-10)22-14(17-20)19-5-3-18(4-6-19)8-12-9-21-11(2)16-12/h7,9H,3-6,8H2,1-2H3
InChIKeyHKADEQLDBOJWOM-UHFFFAOYSA-N
XLogP2.19
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 35418030) is 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(N3CCN(Cc4csc(C)n4)CC3)sc2n1.
What is the InChIKey of 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HKADEQLDBOJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S2/c1-10-7-20-13(15-10)22-14(17-20)19-5-3-18(4-6-19)8-12-9-21-11(2)16-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 334.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 35418030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).