N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine

C21H22N4S — CID 58208020

IUPACN-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1ncc(-c2cc(-c3ccccc3)c3nccn3c2)s1
InChIInChI=1S/C21H22N4S/c1-3-17(4-2)24-21-23-13-19(26-21)16-12-18(15-8-6-5-7-9-15)20-22-10-11-25(20)14-16/h5-14,17H,3-4H2,1-2H3,(H,23,24)
InChIKeyRPJJNFJCABCTPV-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.73
Rot. Bonds6

About N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine

N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 58208020) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID58208020
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC NameN-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1ncc(-c2cc(-c3ccccc3)c3nccn3c2)s1
InChIInChI=1S/C21H22N4S/c1-3-17(4-2)24-21-23-13-19(26-21)16-12-18(15-8-6-5-7-9-15)20-22-10-11-25(20)14-16/h5-14,17H,3-4H2,1-2H3,(H,23,24)
InChIKeyRPJJNFJCABCTPV-UHFFFAOYSA-N
XLogP5.73
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 58208020) is N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine is CCC(CC)Nc1ncc(-c2cc(-c3ccccc3)c3nccn3c2)s1.
What is the InChIKey of N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is RPJJNFJCABCTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-3-17(4-2)24-21-23-13-19(26-21)16-12-18(15-8-6-5-7-9-15)20-22-10-11-25(20)14-16/h5-14,17H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 362.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-5-(8-phenylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58208020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).