N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine

C16H19N5S — CID 133330150

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
SMILESCn1cc(N2CCCC(Nc3nc4ccccc4s3)C2)cn1
InChIInChI=1S/C16H19N5S/c1-20-11-13(9-17-20)21-8-4-5-12(10-21)18-16-19-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,19)
InChIKeyBYLZSIUWSQMPRF-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine (PubChem CID 133330150) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
PubChem CID133330150
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
SMILESCn1cc(N2CCCC(Nc3nc4ccccc4s3)C2)cn1
InChIInChI=1S/C16H19N5S/c1-20-11-13(9-17-20)21-8-4-5-12(10-21)18-16-19-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,19)
InChIKeyBYLZSIUWSQMPRF-UHFFFAOYSA-N
XLogP3.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine
CID 99778841
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133330027
ethyl (3S)-3-(1,3-benzothiazol-2-ylamino)azepane-1-carboxylate
CID 96578679
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine
CID 154866088
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569033
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133330151
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine (CID 133330150) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine is Cn1cc(N2CCCC(Nc3nc4ccccc4s3)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine?
The InChIKey is BYLZSIUWSQMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-20-11-13(9-17-20)21-8-4-5-12(10-21)18-16-19-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 133330150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).