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

C14H18N6S2 — CID 56819524

IUPAC6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(N2CCCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C14H18N6S2/c1-10-8-20-13(15-10)22-14(17-20)19-5-3-4-18(6-7-19)12-16-11(2)9-21-12/h8-9H,3-7H2,1-2H3
InChIKeyPIRHSKZORNMPSC-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.58
Rot. Bonds2

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

6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 56819524) has the molecular formula C14H18N6S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID56819524
Molecular FormulaC14H18N6S2
Molecular Weight334.47 g/mol
Exact Mass334.10
IUPAC Name6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(N2CCCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C14H18N6S2/c1-10-8-20-13(15-10)22-14(17-20)19-5-3-4-18(6-7-19)12-16-11(2)9-21-12/h8-9H,3-7H2,1-2H3
InChIKeyPIRHSKZORNMPSC-UHFFFAOYSA-N
XLogP2.58
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.58
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-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 56819524) is 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1csc(N2CCCN(c3nn4cc(C)nc4s3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PIRHSKZORNMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S2/c1-10-8-20-13(15-10)22-14(17-20)19-5-3-4-18(6-7-19)12-16-11(2)9-21-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 334.47 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 56819524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).