N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C22H20N4S — CID 10150381

IUPACN-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)c2ccncc2c1
InChIInChI=1S/C22H20N4S/c1-2-13-26(12-1)18-8-6-16(7-9-18)21-15-27-22(25-21)24-20-5-3-4-17-14-23-11-10-19(17)20/h3-11,14-15H,1-2,12-13H2,(H,24,25)
InChIKeyPFVAIVJYWPNONO-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.70
Rot. Bonds4

About N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 10150381) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID10150381
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC NameN-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)c2ccncc2c1
InChIInChI=1S/C22H20N4S/c1-2-13-26(12-1)18-8-6-16(7-9-18)21-15-27-22(25-21)24-20-5-3-4-17-14-23-11-10-19(17)20/h3-11,14-15H,1-2,12-13H2,(H,24,25)
InChIKeyPFVAIVJYWPNONO-UHFFFAOYSA-N
XLogP5.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59429751
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
5-pyrrolidin-1-ylisoquinoline
CID 82582558
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 171358589
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 10150381) is N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is c1cc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)c2ccncc2c1.
What is the InChIKey of N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PFVAIVJYWPNONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-2-13-26(12-1)18-8-6-16(7-9-18)21-15-27-22(25-21)24-20-5-3-4-17-14-23-11-10-19(17)20/h3-11,14-15H,1-2,12-13H2,(H,24,25).
What are the key properties of N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 372.50 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10150381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).