5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

C21H19N5S — CID 21132210

IUPAC5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CNCc4cccnc4)ccn3)s2)cc1
InChIInChI=1S/C21H19N5S/c1-2-6-18(7-3-1)19-15-25-21(27-19)26-20-11-16(8-10-24-20)12-23-14-17-5-4-9-22-13-17/h1-11,13,15,23H,12,14H2,(H,24,25,26)
InChIKeyVRIDEKOKANDZNG-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.63
Rot. Bonds7

About 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 21132210) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID21132210
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC Name5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(CNCc4cccnc4)ccn3)s2)cc1
InChIInChI=1S/C21H19N5S/c1-2-6-18(7-3-1)19-15-25-21(27-19)26-20-11-16(8-10-24-20)12-23-14-17-5-4-9-22-13-17/h1-11,13,15,23H,12,14H2,(H,24,25,26)
InChIKeyVRIDEKOKANDZNG-UHFFFAOYSA-N
XLogP4.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 171687495
5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479411
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
5-methyl-N-(4-phenyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 172821030
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
CID 58707124

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 21132210) is 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cc(CNCc4cccnc4)ccn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is VRIDEKOKANDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-2-6-18(7-3-1)19-15-25-21(27-19)26-20-11-16(8-10-24-20)12-23-14-17-5-4-9-22-13-17/h1-11,13,15,23H,12,14H2,(H,24,25,26).
What are the key properties of 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 373.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 21132210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).