2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole

C19H21ClN4S — CID 164937982

IUPAC2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
SMILESClc1ccnc(N2CCN(CCCc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C19H21ClN4S/c20-15-7-8-21-18(14-15)24-12-10-23(11-13-24)9-3-6-19-22-16-4-1-2-5-17(16)25-19/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyPKYFZHLJINOHAR-UHFFFAOYSA-N
MW372.93 g/mol
LogP4.10
Rot. Bonds5

About 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole

2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole (PubChem CID 164937982) has the molecular formula C19H21ClN4S and a molecular weight of 372.93 g/mol. Its IUPAC name is 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
PubChem CID164937982
Molecular FormulaC19H21ClN4S
Molecular Weight372.93 g/mol
Exact Mass372.12
IUPAC Name2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
SMILESClc1ccnc(N2CCN(CCCc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C19H21ClN4S/c20-15-7-8-21-18(14-15)24-12-10-23(11-13-24)9-3-6-19-22-16-4-1-2-5-17(16)25-19/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyPKYFZHLJINOHAR-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.93
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
CID 164937985
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
CID 160888047
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1,3-benzothiazole
CID 11725902
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 164753506
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
CID 22989637
2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole
CID 133421968
1-(1,3-benzothiazol-2-yl)-3-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]urea
CID 142413686
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole (CID 164937982) is 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole is Clc1ccnc(N2CCN(CCCc3nc4ccccc4s3)CC2)c1.
What is the InChIKey of 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole?
The InChIKey is PKYFZHLJINOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4S/c20-15-7-8-21-18(14-15)24-12-10-23(11-13-24)9-3-6-19-22-16-4-1-2-5-17(16)25-19/h1-2,4-5,7-8,14H,3,6,9-13H2.
What are the key properties of 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole?
2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole has a molecular weight of 372.93 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole is sourced from PubChem (CID 164937982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).