N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine

C17H22ClN5S — CID 133383624

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESClc1cccc(N2CCN(CCNc3nnc(C4CC4)s3)CC2)c1
InChIInChI=1S/C17H22ClN5S/c18-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-19-17-21-20-16(24-17)13-4-5-13/h1-3,12-13H,4-11H2,(H,19,21)
InChIKeyUPZWFSGLPDSDPI-UHFFFAOYSA-N
MW363.92 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 133383624) has the molecular formula C17H22ClN5S and a molecular weight of 363.92 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID133383624
Molecular FormulaC17H22ClN5S
Molecular Weight363.92 g/mol
Exact Mass363.13
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESClc1cccc(N2CCN(CCNc3nnc(C4CC4)s3)CC2)c1
InChIInChI=1S/C17H22ClN5S/c18-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-19-17-21-20-16(24-17)13-4-5-13/h1-3,12-13H,4-11H2,(H,19,21)
InChIKeyUPZWFSGLPDSDPI-UHFFFAOYSA-N
XLogP3.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 125436555
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 20889126
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 133383624) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine is Clc1cccc(N2CCN(CCNc3nnc(C4CC4)s3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UPZWFSGLPDSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5S/c18-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-19-17-21-20-16(24-17)13-4-5-13/h1-3,12-13H,4-11H2,(H,19,21).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 363.92 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133383624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).