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

C10H15ClN4S — CID 80610856

IUPAC2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESClc1nnc(CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C10H15ClN4S/c11-10-13-12-9(16-10)7-14-3-5-15(6-4-14)8-1-2-8/h8H,1-7H2
InChIKeyDKDOCRIBKQETOD-UHFFFAOYSA-N
MW258.78 g/mol
LogP1.47
Rot. Bonds3

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

2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 80610856) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID80610856
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESClc1nnc(CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C10H15ClN4S/c11-10-13-12-9(16-10)7-14-3-5-15(6-4-14)8-1-2-8/h8H,1-7H2
InChIKeyDKDOCRIBKQETOD-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115300700
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 80609765
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
CID 80610456
2-chloro-5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611144
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 80611271
2-chloro-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 80610152
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438353
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (CID 80610856) is 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is Clc1nnc(CN2CCN(C3CC3)CC2)s1.
What is the InChIKey of 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is DKDOCRIBKQETOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c11-10-13-12-9(16-10)7-14-3-5-15(6-4-14)8-1-2-8/h8H,1-7H2.
What are the key properties of 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 258.78 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80610856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).