[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine

C17H20N6S — CID 45222357

IUPAC[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(N2CCN(c3nc4ccccc4s3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-12-19-13(11-18)10-16(20-12)22-6-8-23(9-7-22)17-21-14-4-2-3-5-15(14)24-17/h2-5,10H,6-9,11,18H2,1H3
InChIKeyNLQIBUZEULAAHP-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.18
Rot. Bonds3

About [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine

[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine (PubChem CID 45222357) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
PubChem CID45222357
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(N2CCN(c3nc4ccccc4s3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-12-19-13(11-18)10-16(20-12)22-6-8-23(9-7-22)17-21-14-4-2-3-5-15(14)24-17/h2-5,10H,6-9,11,18H2,1H3
InChIKeyNLQIBUZEULAAHP-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 86884571
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
CID 7110142
6-methoxy-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108775283
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155942124
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155976467
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 1484927
3-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60869878
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 133493120
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058

Frequently Asked Questions

What is the IUPAC name of [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine (CID 45222357) is [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine is Cc1nc(CN)cc(N2CCN(c3nc4ccccc4s3)CC2)n1.
What is the InChIKey of [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is NLQIBUZEULAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-19-13(11-18)10-16(20-12)22-6-8-23(9-7-22)17-21-14-4-2-3-5-15(14)24-17/h2-5,10H,6-9,11,18H2,1H3.
What are the key properties of [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine?
[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 340.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 45222357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).