5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C19H20N4S — CID 5329325

IUPAC5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CN4CCCC4)ccn3)s2)cc1
InChIInChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
InChIKeyJBIXJDQVQFSQHB-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.54
Rot. Bonds5

About 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine

5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 5329325) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID5329325
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CN4CCCC4)ccn3)s2)cc1
InChIInChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
InChIKeyJBIXJDQVQFSQHB-UHFFFAOYSA-N
XLogP4.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 5329325) is 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cc(CN4CCCC4)ccn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is JBIXJDQVQFSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22).
What are the key properties of 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 336.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 5329325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).