5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole

C11H16ClN5S2 — CID 71864057

IUPAC5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
SMILESCC1CN=C(N2CCN(Cc3nnsc3Cl)CC2)S1
InChIInChI=1S/C11H16ClN5S2/c1-8-6-13-11(18-8)17-4-2-16(3-5-17)7-9-10(12)19-15-14-9/h8H,2-7H2,1H3
InChIKeySJPGDXCIPNKGJA-UHFFFAOYSA-N
MW317.87 g/mol
LogP1.80
Rot. Bonds2

About 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 71864057) has the molecular formula C11H16ClN5S2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
PubChem CID71864057
Molecular FormulaC11H16ClN5S2
Molecular Weight317.87 g/mol
Exact Mass317.05
IUPAC Name5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
SMILESCC1CN=C(N2CCN(Cc3nnsc3Cl)CC2)S1
InChIInChI=1S/C11H16ClN5S2/c1-8-6-13-11(18-8)17-4-2-16(3-5-17)7-9-10(12)19-15-14-9/h8H,2-7H2,1H3
InChIKeySJPGDXCIPNKGJA-UHFFFAOYSA-N
XLogP1.80
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole (CID 71864057) is 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole is CC1CN=C(N2CCN(Cc3nnsc3Cl)CC2)S1.
What is the InChIKey of 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is SJPGDXCIPNKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5S2/c1-8-6-13-11(18-8)17-4-2-16(3-5-17)7-9-10(12)19-15-14-9/h8H,2-7H2,1H3.
What are the key properties of 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 317.87 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 71864057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).