4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine

C19H14N6S — CID 66768227

IUPAC4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine
SMILESNc1[nH]nc(Nc2ccc3ncccc3c2)c1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N6S/c20-17-16(19-23-14-5-1-2-6-15(14)26-19)18(25-24-17)22-12-7-8-13-11(10-12)4-3-9-21-13/h1-10H,(H4,20,22,24,25)
InChIKeyMQTCPUCKVUOTPF-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.56
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine

4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine (PubChem CID 66768227) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine
PubChem CID66768227
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine
SMILESNc1[nH]nc(Nc2ccc3ncccc3c2)c1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N6S/c20-17-16(19-23-14-5-1-2-6-15(14)26-19)18(25-24-17)22-12-7-8-13-11(10-12)4-3-9-21-13/h1-10H,(H4,20,22,24,25)
InChIKeyMQTCPUCKVUOTPF-UHFFFAOYSA-N
XLogP4.56
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine (CID 66768227) is 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine is Nc1[nH]nc(Nc2ccc3ncccc3c2)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine?
The InChIKey is MQTCPUCKVUOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c20-17-16(19-23-14-5-1-2-6-15(14)26-19)18(25-24-17)22-12-7-8-13-11(10-12)4-3-9-21-13/h1-10H,(H4,20,22,24,25).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine?
4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine has a molecular weight of 358.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-6-yl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 66768227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).