2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole

C7H7ClN4S — CID 80611046

IUPAC2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nccn1Cc1nnc(Cl)s1
InChIInChI=1S/C7H7ClN4S/c1-5-9-2-3-12(5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3
InChIKeyGNPAWASVWORUJP-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.74
Rot. Bonds2

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

2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 80611046) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID80611046
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nccn1Cc1nnc(Cl)s1
InChIInChI=1S/C7H7ClN4S/c1-5-9-2-3-12(5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3
InChIKeyGNPAWASVWORUJP-UHFFFAOYSA-N
XLogP1.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80609995
5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 11789025
1-benzyl-2-methylimidazole
CID 158634472
3,4-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazole
CID 60968456
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 131018890
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
CID 167974093
2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 84818107
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile
CID 80607838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole (CID 80611046) is 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole is Cc1nccn1Cc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is GNPAWASVWORUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-5-9-2-3-12(5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 214.68 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80611046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).