2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole

C19H20ClN5S — CID 133421968

IUPAC2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole
SMILESClc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H20ClN5S/c20-16-11-17(23-19(22-16)13-5-6-13)25-9-7-24(8-10-25)12-18-21-14-3-1-2-4-15(14)26-18/h1-4,11,13H,5-10,12H2
InChIKeyYAUNAPCXUSXGCC-UHFFFAOYSA-N
MW385.92 g/mol
LogP3.94
Rot. Bonds4

About 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole

2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole (PubChem CID 133421968) has the molecular formula C19H20ClN5S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole
PubChem CID133421968
Molecular FormulaC19H20ClN5S
Molecular Weight385.92 g/mol
Exact Mass385.11
IUPAC Name2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole
SMILESClc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H20ClN5S/c20-16-11-17(23-19(22-16)13-5-6-13)25-9-7-24(8-10-25)12-18-21-14-3-1-2-4-15(14)26-18/h1-4,11,13H,5-10,12H2
InChIKeyYAUNAPCXUSXGCC-UHFFFAOYSA-N
XLogP3.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole with MolForge

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Related Compounds

4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine
CID 133416150
4-chloro-2-cyclopropyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133416457
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133431855
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 171779714
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133421971
N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133433117
2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 17448522
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole (CID 133421968) is 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole is Clc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole?
The InChIKey is YAUNAPCXUSXGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5S/c20-16-11-17(23-19(22-16)13-5-6-13)25-9-7-24(8-10-25)12-18-21-14-3-1-2-4-15(14)26-18/h1-4,11,13H,5-10,12H2.
What are the key properties of 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole?
2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole has a molecular weight of 385.92 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 133421968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).